Octopus
16.0
real-space, real-time, TDDFT code
options.h
Go to the documentation of this file.
1
#define OPTION__AOTRUNCATION__AO_BOX (2_int64)
2
#define OPTION__AOTRUNCATION__AO_FULL (1_int64)
3
#define OPTION__AOTRUNCATION__AO_NLRADIUS (4_int64)
4
#define OPTION__ABSORBINGBOUNDARIES__CAP (2_int64)
5
#define OPTION__ABSORBINGBOUNDARIES__EXTERIOR (3_int64)
6
#define OPTION__ABSORBINGBOUNDARIES__MASK (1_int64)
7
#define OPTION__ABSORBINGBOUNDARIES__NOT_ABSORBING (0_int64)
8
#define OPTION__ACCELDEVICE__ACCEL_DEFAULT (-4_int64)
9
#define OPTION__ACCELDEVICE__ACCELERATOR (-3_int64)
10
#define OPTION__ACCELDEVICE__CPU (-2_int64)
11
#define OPTION__ACCELDEVICE__GPU (-1_int64)
12
#define OPTION__ACCELPLATFORM__AMD (-2_int64)
13
#define OPTION__ACCELPLATFORM__ATI (-4_int64)
14
#define OPTION__ACCELPLATFORM__INTEL (-5_int64)
15
#define OPTION__ACCELPLATFORM__NVIDIA (-3_int64)
16
#define OPTION__ALLELECTRONTYPE__FULL_ANC (3_int64)
17
#define OPTION__ALLELECTRONTYPE__FULL_DELTA (1_int64)
18
#define OPTION__ALLELECTRONTYPE__FULL_GAUSSIAN (2_int64)
19
#define OPTION__ALLELECTRONTYPE__NO (0_int64)
20
#define OPTION__ARNOLDIORTHOGONALIZATION__CGS (3_int64)
21
#define OPTION__ARNOLDIORTHOGONALIZATION__DRCGS (5_int64)
22
#define OPTION__AXISTYPE__INERTIA (1_int64)
23
#define OPTION__AXISTYPE__LARGE_AXIS (3_int64)
24
#define OPTION__AXISTYPE__NONE (0_int64)
25
#define OPTION__AXISTYPE__PSEUDO_INERTIA (2_int64)
26
#define OPTION__BOXSHAPE__BOX_CGAL (6_int64)
27
#define OPTION__BOXSHAPE__BOX_IMAGE (5_int64)
28
#define OPTION__BOXSHAPE__CYLINDER (2_int64)
29
#define OPTION__BOXSHAPE__MINIMUM (3_int64)
30
#define OPTION__BOXSHAPE__PARALLELEPIPED (4_int64)
31
#define OPTION__BOXSHAPE__SPHERE (1_int64)
32
#define OPTION__BOXSHAPE__USER_DEFINED (77_int64)
33
#define OPTION__CGDIRECTION__FLETCHER (1_int64)
34
#define OPTION__CGDIRECTION__POLAK (2_int64)
35
#define OPTION__CALCULATIONMODE__CASIDA (09_int64)
36
#define OPTION__CALCULATIONMODE__DUMMY (17_int64)
37
#define OPTION__CALCULATIONMODE__EM_RESP (08_int64)
38
#define OPTION__CALCULATIONMODE__GO (05_int64)
39
#define OPTION__CALCULATIONMODE__GS (01_int64)
40
#define OPTION__CALCULATIONMODE__INVERT_KS (18_int64)
41
#define OPTION__CALCULATIONMODE__KDOTP (15_int64)
42
#define OPTION__CALCULATIONMODE__ONE_SHOT (14_int64)
43
#define OPTION__CALCULATIONMODE__OPT_CONTROL (07_int64)
44
#define OPTION__CALCULATIONMODE__RECIPE (99_int64)
45
#define OPTION__CALCULATIONMODE__TD (03_int64)
46
#define OPTION__CALCULATIONMODE__TEST (19_int64)
47
#define OPTION__CALCULATIONMODE__UNOCC (02_int64)
48
#define OPTION__CALCULATIONMODE__VDW (11_int64)
49
#define OPTION__CALCULATIONMODE__VIB_MODES (12_int64)
50
#define OPTION__CASIDAPARALLELEIGENSOLVER__CASIDA_ELPA (1_int64)
51
#define OPTION__CASIDAPARALLELEIGENSOLVER__CASIDA_SCALAPACK (2_int64)
52
#define OPTION__CASIDATHEORYLEVEL__EPS_DIFF (1_int64)
53
#define OPTION__CASIDATHEORYLEVEL__LRTDDFT_CASIDA (16_int64)
54
#define OPTION__CASIDATHEORYLEVEL__PETERSILKA (2_int64)
55
#define OPTION__CASIDATHEORYLEVEL__TAMM_DANCOFF (4_int64)
56
#define OPTION__CASIDATHEORYLEVEL__VARIATIONAL (8_int64)
57
#define OPTION__CONVERTFTMETHOD__FAST_FOURIER (1_int64)
58
#define OPTION__CONVERTFTMETHOD__STANDARD_FOURIER (2_int64)
59
#define OPTION__CONVERTHOW__FORMAT (1_int64)
60
#define OPTION__CONVERTHOW__FOURIER_TRANSFORM (2_int64)
61
#define OPTION__CONVERTHOW__OPERATION (3_int64)
62
#define OPTION__CURRENTDENSITY__GRADIENT (1_int64)
63
#define OPTION__CURRENTDENSITY__GRADIENT_CORRECTED (2_int64)
64
#define OPTION__CURRENTDENSITY__HAMILTONIAN (3_int64)
65
#define OPTION__CURVMETHOD__CURV_AFFINE (1_int64)
66
#define OPTION__CURVMETHOD__CURV_BRIGGS (3_int64)
67
#define OPTION__CURVMETHOD__CURV_GYGI (2_int64)
68
#define OPTION__CURVMETHOD__CURV_MODINE (4_int64)
69
#define OPTION__DFTUDOUBLECOUNTING__DFT_U_AMF (1_int64)
70
#define OPTION__DFTUDOUBLECOUNTING__DFT_U_FLL (0_int64)
71
#define OPTION__DFTUDOUBLECOUNTING__DFT_U_MIX (2_int64)
72
#define OPTION__DFTULEVEL__DFT_U_ACBN0 (2_int64)
73
#define OPTION__DFTULEVEL__DFT_U_EMPIRICAL (1_int64)
74
#define OPTION__DFTULEVEL__DFT_U_NONE (0_int64)
75
#define OPTION__DFTUPOISSONSOLVER__DFT_U_POISSON_DIRECT (0_int64)
76
#define OPTION__DFTUPOISSONSOLVER__DFT_U_POISSON_FFT (3_int64)
77
#define OPTION__DFTUPOISSONSOLVER__DFT_U_POISSON_ISF (1_int64)
78
#define OPTION__DFTUPOISSONSOLVER__DFT_U_POISSON_PSOLVER (2_int64)
79
#define OPTION__DEBUG__EXTRA_CHECKS (16_int64)
80
#define OPTION__DEBUG__INFO (1_int64)
81
#define OPTION__DEBUG__INSTRUMENT (256_int64)
82
#define OPTION__DEBUG__INTERACTION_GRAPH (32_int64)
83
#define OPTION__DEBUG__INTERACTION_GRAPH_FULL (64_int64)
84
#define OPTION__DEBUG__NO (0_int64)
85
#define OPTION__DEBUG__PROPAGATION_GRAPH (128_int64)
86
#define OPTION__DEBUG__TRACE (2_int64)
87
#define OPTION__DEBUG__TRACE_FILE (8_int64)
88
#define OPTION__DEBUG__TRACE_TERM (4_int64)
89
#define OPTION__DERIVATIVESSTENCIL__STENCIL_CUBE (3_int64)
90
#define OPTION__DERIVATIVESSTENCIL__STENCIL_STAR (1_int64)
91
#define OPTION__DERIVATIVESSTENCIL__STENCIL_STARGENERAL (5_int64)
92
#define OPTION__DERIVATIVESSTENCIL__STENCIL_STARPLUS (4_int64)
93
#define OPTION__DERIVATIVESSTENCIL__STENCIL_VARIATIONAL (2_int64)
94
#define OPTION__DESCRIBEPARTICLESMODELMB__ANYON (3_int64)
95
#define OPTION__DESCRIBEPARTICLESMODELMB__BOSON (2_int64)
96
#define OPTION__DESCRIBEPARTICLESMODELMB__FERMION (1_int64)
97
#define OPTION__EMPERTURBATIONTYPE__ELECTRIC (1_int64)
98
#define OPTION__EMPERTURBATIONTYPE__MAGNETIC (2_int64)
99
#define OPTION__EMPERTURBATIONTYPE__NONE (0_int64)
100
#define OPTION__EIGENSOLVER__CG (5_int64)
101
#define OPTION__EIGENSOLVER__CHEBYSHEV_FILTER (12_int64)
102
#define OPTION__EIGENSOLVER__EVOLUTION (9_int64)
103
#define OPTION__EIGENSOLVER__PLAN (11_int64)
104
#define OPTION__EIGENSOLVER__RMMDIIS (10_int64)
105
#define OPTION__FFTLIBRARY__ACCEL (3_int64)
106
#define OPTION__FFTLIBRARY__FFTW (1_int64)
107
#define OPTION__FFTLIBRARY__PFFT (2_int64)
108
#define OPTION__FFTPREPAREPLAN__FFTW_ESTIMATE (64_int64)
109
#define OPTION__FFTPREPAREPLAN__FFTW_EXHAUSTIVE (8_int64)
110
#define OPTION__FFTPREPAREPLAN__FFTW_MEASURE (0_int64)
111
#define OPTION__FFTPREPAREPLAN__FFTW_PATIENT (32_int64)
112
#define OPTION__FILTERPOTENTIALS__FILTER_BSB (3_int64)
113
#define OPTION__FILTERPOTENTIALS__FILTER_TS (2_int64)
114
#define OPTION__FILTERPOTENTIALS__FILTER_NONE (0_int64)
115
#define OPTION__GOFIREINTEGRATOR__EULER (0_int64)
116
#define OPTION__GOFIREINTEGRATOR__VERLET (1_int64)
117
#define OPTION__GOMETHOD__CG_BFGS (4_int64)
118
#define OPTION__GOMETHOD__CG_BFGS2 (5_int64)
119
#define OPTION__GOMETHOD__CG_FR (2_int64)
120
#define OPTION__GOMETHOD__CG_PR (3_int64)
121
#define OPTION__GOMETHOD__FIRE (8_int64)
122
#define OPTION__GOMETHOD__SIMPLEX (6_int64)
123
#define OPTION__GOMETHOD__STEEP (1_int64)
124
#define OPTION__GOMETHOD__STEEP_NATIVE (-1_int64)
125
#define OPTION__GOOBJECTIVE__MINIMIZE_ENERGY (1_int64)
126
#define OPTION__GOOBJECTIVE__MINIMIZE_FORCES (2_int64)
127
#define OPTION__GOTYPE__CELL_SHAPE (2_int64)
128
#define OPTION__GOTYPE__CELL_VOLUME (4_int64)
129
#define OPTION__GOTYPE__ION_POSITIONS (1_int64)
130
#define OPTION__GAUGEFIELDDYNAMICS__NONE (0_int64)
131
#define OPTION__GAUGEFIELDDYNAMICS__POLARIZATION (1_int64)
132
#define OPTION__GROUNDSTATEALGORITHM__SCF (1_int64)
133
#define OPTION__GROUNDSTATEALGORITHM__STATIC (0_int64)
134
#define OPTION__GUESSMAGNETDENSITY__FERROMAGNETIC (2_int64)
135
#define OPTION__GUESSMAGNETDENSITY__PARAMAGNETIC (1_int64)
136
#define OPTION__GUESSMAGNETDENSITY__RANDOM (3_int64)
137
#define OPTION__GUESSMAGNETDENSITY__USER_DEFINED (77_int64)
138
#define OPTION__HFSINGULARITY__FCC (2_int64)
139
#define OPTION__HFSINGULARITY__GENERAL (1_int64)
140
#define OPTION__HFSINGULARITY__NONE (0_int64)
141
#define OPTION__HFSINGULARITY__SPHERICAL_BZ (3_int64)
142
#define OPTION__HAMILTONIANVARIATION__V_EXT_ONLY (0_int64)
143
#define OPTION__HAMILTONIANVARIATION__FXC (2_int64)
144
#define OPTION__HAMILTONIANVARIATION__HARTREE (1_int64)
145
#define OPTION__INSTRUMENTFUNCTIONS__FENV (2_int64)
146
#define OPTION__INSTRUMENTFUNCTIONS__VERROU (1_int64)
147
#define OPTION__INTERACTION1D__INTERACTION_EXP_SCREENED (0_int64)
148
#define OPTION__INTERACTION1D__INTERACTION_SOFT_COULOMB (1_int64)
149
#define OPTION__INTERACTIONTIMING__TIMING_EXACT (1_int64)
150
#define OPTION__INTERACTIONTIMING__TIMING_RETARDED (2_int64)
151
#define OPTION__INTERACTIONS__ALL_EXCEPT (-4_int64)
152
#define OPTION__INTERACTIONS__ALL_PARTNERS (-2_int64)
153
#define OPTION__INTERACTIONS__COULOMB_FORCE (3_int64)
154
#define OPTION__INTERACTIONS__CURRENT_TO_MXLL_FIELD (5_int64)
155
#define OPTION__INTERACTIONS__GRAVITY (1_int64)
156
#define OPTION__INTERACTIONS__LENNARD_JONES (9_int64)
157
#define OPTION__INTERACTIONS__LINEAR_MEDIUM_TO_EM_FIELD (4_int64)
158
#define OPTION__INTERACTIONS__LORENTZ_FORCE (2_int64)
159
#define OPTION__INTERACTIONS__MAXWELL_B_FIELD (7_int64)
160
#define OPTION__INTERACTIONS__MAXWELL_E_FIELD (6_int64)
161
#define OPTION__INTERACTIONS__MAXWELL_VECTOR_POTENTIAL (8_int64)
162
#define OPTION__INTERACTIONS__NO_PARTNERS (-1_int64)
163
#define OPTION__INTERACTIONS__ONLY_PARTNERS (-3_int64)
164
#define OPTION__INVERTKSMETHOD__ITER_GODBY (4_int64)
165
#define OPTION__INVERTKSMETHOD__ITER_STELLA (3_int64)
166
#define OPTION__INVERTKSMETHOD__ITERATIVE (2_int64)
167
#define OPTION__INVERTKSMETHOD__TWO_PARTICLE (1_int64)
168
#define OPTION__KSINVERSIONASYMPTOTICS__XC_ASYMPTOTICS_NONE (1_int64)
169
#define OPTION__KSINVERSIONASYMPTOTICS__XC_ASYMPTOTICS_SC (2_int64)
170
#define OPTION__KSINVERSIONLEVEL__KS_INVERSION_ADIABATIC (2_int64)
171
#define OPTION__KSINVERSIONLEVEL__KS_INVERSION_NONE (1_int64)
172
#define OPTION__KDOTPOCCUPIEDSOLUTIONMETHOD__STERNHEIMER_EQN (0_int64)
173
#define OPTION__KDOTPOCCUPIEDSOLUTIONMETHOD__SUM_OVER_STATES (1_int64)
174
#define OPTION__KDOTPVELMETHOD__GRAD_VEL (0_int64)
175
#define OPTION__KDOTPVELMETHOD__HCOM_VEL (1_int64)
176
#define OPTION__LCAOSTART__LCAO_FULL (3_int64)
177
#define OPTION__LCAOSTART__LCAO_NONE (0_int64)
178
#define OPTION__LCAOSTART__LCAO_STATES (2_int64)
179
#define OPTION__LCAOSTART__LCAO_STATES_BATCH (4_int64)
180
#define OPTION__LDOUTPUT__DENSITY (2_int64)
181
#define OPTION__LDOUTPUT__ENERGY (8_int64)
182
#define OPTION__LDOUTPUT__LOCAL_V (4_int64)
183
#define OPTION__LDOUTPUT__MULTIPOLES (1_int64)
184
#define OPTION__LRTOLSCHEME__TOL_ADAPTIVE (1_int64)
185
#define OPTION__LRTOLSCHEME__TOL_EXP (3_int64)
186
#define OPTION__LRTOLSCHEME__TOL_FIXED (0_int64)
187
#define OPTION__LRTOLSCHEME__TOL_LINEAR (2_int64)
188
#define OPTION__LINEARMEDIUMBOXSHAPE__MEDIUM_BOX_FILE (2_int64)
189
#define OPTION__LINEARMEDIUMBOXSHAPE__MEDIUM_PARALLELEPIPED (1_int64)
190
#define OPTION__LINEARMEDIUMEDGEPROFILE__EDGED (1_int64)
191
#define OPTION__LINEARMEDIUMEDGEPROFILE__SMOOTH (2_int64)
192
#define OPTION__LINEARMEDIUMOUTPUT__PERMEABILITY (3_int64)
193
#define OPTION__LINEARMEDIUMOUTPUT__PERMITTIVITY (2_int64)
194
#define OPTION__LINEARMEDIUMOUTPUT__POINTS (1_int64)
195
#define OPTION__LINEARMEDIUMOUTPUT__SPEED_OF_LIGHT (3_int64)
196
#define OPTION__LINEARSOLVER__BICGSTAB (4_int64)
197
#define OPTION__LINEARSOLVER__CG (5_int64)
198
#define OPTION__LINEARSOLVER__IDRS (11_int64)
199
#define OPTION__LINEARSOLVER__MULTIGRID (7_int64)
200
#define OPTION__LINEARSOLVER__QMR_DOTP (83_int64)
201
#define OPTION__LINEARSOLVER__QMR_GENERAL (84_int64)
202
#define OPTION__LINEARSOLVER__QMR_SYMMETRIC (81_int64)
203
#define OPTION__LINEARSOLVER__QMR_SYMMETRIZED (82_int64)
204
#define OPTION__LINEARSOLVER__SOS (9_int64)
205
#define OPTION__MAGNETICCONSTRAIN__CONSTRAIN_DIR (1_int64)
206
#define OPTION__MAGNETICCONSTRAIN__CONSTRAIN_FULL (2_int64)
207
#define OPTION__MAGNETICCONSTRAIN__CONSTRAIN_NONE (0_int64)
208
#define OPTION__MAGNETICGAUGECORRECTION__GIPAW (1_int64)
209
#define OPTION__MAGNETICGAUGECORRECTION__ICL (2_int64)
210
#define OPTION__MAGNETICGAUGECORRECTION__NONE (0_int64)
211
#define OPTION__MAXWELLABSORBINGBOUNDARIES__CPML (2_int64)
212
#define OPTION__MAXWELLABSORBINGBOUNDARIES__MASK (1_int64)
213
#define OPTION__MAXWELLABSORBINGBOUNDARIES__MASK_ZERO (7_int64)
214
#define OPTION__MAXWELLABSORBINGBOUNDARIES__NOT_ABSORBING (0_int64)
215
#define OPTION__MAXWELLBOUNDARYCONDITIONS__CONSTANT (1_int64)
216
#define OPTION__MAXWELLBOUNDARYCONDITIONS__MEDIUM (6_int64)
217
#define OPTION__MAXWELLBOUNDARYCONDITIONS__MIRROR_PEC (2_int64)
218
#define OPTION__MAXWELLBOUNDARYCONDITIONS__MIRROR_PMC (3_int64)
219
#define OPTION__MAXWELLBOUNDARYCONDITIONS__PERIODIC (5_int64)
220
#define OPTION__MAXWELLBOUNDARYCONDITIONS__PLANE_WAVES (4_int64)
221
#define OPTION__MAXWELLBOUNDARYCONDITIONS__ZERO (0_int64)
222
#define OPTION__MAXWELLCOUPLINGMODE__FULL_MINIMAL_COUPLING (4_int64)
223
#define OPTION__MAXWELLCOUPLINGMODE__LENGTH_GAUGE_DIPOLE (1_int64)
224
#define OPTION__MAXWELLCOUPLINGMODE__MULTIPOLAR_EXPANSION (2_int64)
225
#define OPTION__MAXWELLCOUPLINGMODE__NONE (0_int64)
226
#define OPTION__MAXWELLCOUPLINGMODE__VELOCITY_GAUGE_DIPOLE (3_int64)
227
#define OPTION__MAXWELLDIPOLEFIELD__AVERAGE (0_int64)
228
#define OPTION__MAXWELLDIPOLEFIELD__CENTER_OF_MASS (1_int64)
229
#define OPTION__MAXWELLFUNCTIONS__MXF_CONST_PHASE (10004_int64)
230
#define OPTION__MAXWELLFUNCTIONS__MXF_CONST_WAVE (10002_int64)
231
#define OPTION__MAXWELLFUNCTIONS__MXF_COSINOIDAL_WAVE (10006_int64)
232
#define OPTION__MAXWELLFUNCTIONS__MXF_FROM_EXPR (10011_int64)
233
#define OPTION__MAXWELLFUNCTIONS__MXF_GAUSSIAN_WAVE (10005_int64)
234
#define OPTION__MAXWELLFUNCTIONS__MXF_LOGISTIC_WAVE (10007_int64)
235
#define OPTION__MAXWELLFUNCTIONS__MXF_TRAPEZOIDAL_WAVE (10008_int64)
236
#define OPTION__MAXWELLHAMILTONIANOPERATOR__FARADAY_AMPERE (1_int64)
237
#define OPTION__MAXWELLHAMILTONIANOPERATOR__FARADAY_AMPERE_MEDIUM (2_int64)
238
#define OPTION__MAXWELLHAMILTONIANOPERATOR__SIMPLE (3_int64)
239
#define OPTION__MAXWELLINCIDENTWAVES__BESSEL_FUNCTION (2_int64)
240
#define OPTION__MAXWELLINCIDENTWAVES__PLANE_WAVE_MX_FUNCTION (1_int64)
241
#define OPTION__MAXWELLINCIDENTWAVES__PLANE_WAVE_PARSER (0_int64)
242
#define OPTION__MAXWELLOUTPUT__CHARGE_DENSITY (12_int64)
243
#define OPTION__MAXWELLOUTPUT__DIV_ELECTRIC_FIELD (7_int64)
244
#define OPTION__MAXWELLOUTPUT__DIV_MAGNETIC_FIELD (8_int64)
245
#define OPTION__MAXWELLOUTPUT__ELECTRIC_FIELD (1_int64)
246
#define OPTION__MAXWELLOUTPUT__EXTERNAL_CURRENT (11_int64)
247
#define OPTION__MAXWELLOUTPUT__LONG_ELECTRIC_FIELD (5_int64)
248
#define OPTION__MAXWELLOUTPUT__LONG_MAGNETIC_FIELD (6_int64)
249
#define OPTION__MAXWELLOUTPUT__MAGNETIC_FIELD (2_int64)
250
#define OPTION__MAXWELLOUTPUT__MAGNETIC_FIELD_DIFF (15_int64)
251
#define OPTION__MAXWELLOUTPUT__MAXWELL_ENERGY_DENSITY (10_int64)
252
#define OPTION__MAXWELLOUTPUT__ORBITAL_ANGULAR_MOMENTUM (13_int64)
253
#define OPTION__MAXWELLOUTPUT__POYNTING_VECTOR (9_int64)
254
#define OPTION__MAXWELLOUTPUT__TOTAL_CURRENT_MXLL (16_int64)
255
#define OPTION__MAXWELLOUTPUT__TRANS_ELECTRIC_FIELD (3_int64)
256
#define OPTION__MAXWELLOUTPUT__TRANS_MAGNETIC_FIELD (4_int64)
257
#define OPTION__MAXWELLOUTPUT__VECTOR_POTENTIAL_MAG (14_int64)
258
#define OPTION__MAXWELLTDETRSAPPROX__CONST_STEPS (1_int64)
259
#define OPTION__MAXWELLTDETRSAPPROX__NO (0_int64)
260
#define OPTION__MAXWELLTDOUTPUT__B_FIELD_SURFACE_X (4194304_int64)
261
#define OPTION__MAXWELLTDOUTPUT__B_FIELD_SURFACE_Y (8388608_int64)
262
#define OPTION__MAXWELLTDOUTPUT__B_FIELD_SURFACE_Z (16777216_int64)
263
#define OPTION__MAXWELLTDOUTPUT__E_FIELD_SURFACE_X (524288_int64)
264
#define OPTION__MAXWELLTDOUTPUT__E_FIELD_SURFACE_Y (1048576_int64)
265
#define OPTION__MAXWELLTDOUTPUT__E_FIELD_SURFACE_Z (2097152_int64)
266
#define OPTION__MAXWELLTDOUTPUT__MAXWELL_ENERGY (262144_int64)
267
#define OPTION__MAXWELLTDOUTPUT__MAXWELL_LONGITUDINAL_B_FIELD (512_int64)
268
#define OPTION__MAXWELLTDOUTPUT__MAXWELL_LONGITUDINAL_E_FIELD (64_int64)
269
#define OPTION__MAXWELLTDOUTPUT__MAXWELL_TOTAL_B_FIELD (8_int64)
270
#define OPTION__MAXWELLTDOUTPUT__MAXWELL_TOTAL_E_FIELD (1_int64)
271
#define OPTION__MAXWELLTDOUTPUT__MAXWELL_TRANSVERSE_B_FIELD (32768_int64)
272
#define OPTION__MAXWELLTDOUTPUT__MAXWELL_TRANSVERSE_E_FIELD (4096_int64)
273
#define OPTION__MEDIUMDISPERSIONTYPE__DRUDE_MEDIUM (0_int64)
274
#define OPTION__MESHBLOCKDIRECTION__DECREASE_WITH_DIMENSION (2_int64)
275
#define OPTION__MESHBLOCKDIRECTION__INCREASE_WITH_DIMENSION (1_int64)
276
#define OPTION__MESHINDEXTYPE__IDX_CUBIC (1_int64)
277
#define OPTION__MESHINDEXTYPE__IDX_HILBERT (2_int64)
278
#define OPTION__MESHLOCALBLOCKDIRECTION__DECREASE_WITH_DIMENSION (2_int64)
279
#define OPTION__MESHLOCALBLOCKDIRECTION__INCREASE_WITH_DIMENSION (1_int64)
280
#define OPTION__MESHLOCALORDER__ORDER_BLOCKS (1_int64)
281
#define OPTION__MESHLOCALORDER__ORDER_CUBE (3_int64)
282
#define OPTION__MESHLOCALORDER__ORDER_GLOBAL (4_int64)
283
#define OPTION__MESHORDER__ORDER_BLOCKS (1_int64)
284
#define OPTION__MESHORDER__ORDER_CUBE (3_int64)
285
#define OPTION__MESHORDER__ORDER_ORIGINAL (2_int64)
286
#define OPTION__MESHPARTITIONPACKAGE__METIS (1_int64)
287
#define OPTION__MESHPARTITIONPACKAGE__PARMETIS (2_int64)
288
#define OPTION__MESHPARTITIONPACKAGE__PART_HILBERT (3_int64)
289
#define OPTION__MESHPARTITIONSTENCIL__LAPLACIAN (2_int64)
290
#define OPTION__MESHPARTITIONSTENCIL__STENCIL_STAR (1_int64)
291
#define OPTION__MESHPARTITION__GRAPH (2_int64)
292
#define OPTION__MESHPARTITION__RCB (1_int64)
293
#define OPTION__MIXFIELD__DENSITY (2_int64)
294
#define OPTION__MIXFIELD__NONE (0_int64)
295
#define OPTION__MIXFIELD__POTENTIAL (1_int64)
296
#define OPTION__MIXFIELD__STATES (3_int64)
297
#define OPTION__MIXINGSCHEME__BROYDEN (2_int64)
298
#define OPTION__MIXINGSCHEME__DIIS (9_int64)
299
#define OPTION__MIXINGSCHEME__LINEAR (0_int64)
300
#define OPTION__MULTIGRIDLEVELS__MAX_LEVELS (0_int64)
301
#define OPTION__MULTIGRIDRELAXATIONMETHOD__GAUSS_SEIDEL (1_int64)
302
#define OPTION__MULTIGRIDRELAXATIONMETHOD__WEIGHTED_JACOBI (2_int64)
303
#define OPTION__MULTIGRIDRESTRICTIONMETHOD__FULLWEIGHT (2_int64)
304
#define OPTION__MULTIGRIDRESTRICTIONMETHOD__INJECTION (1_int64)
305
#define OPTION__MULTIPOLAREXPANSIONTERMS__ELECTRIC_DIPOLE (2_int64)
306
#define OPTION__MULTIPOLAREXPANSIONTERMS__ELECTRIC_QUADRUPOLE (4_int64)
307
#define OPTION__MULTIPOLAREXPANSIONTERMS__MAGNETIC_DIPOLE (8_int64)
308
#define OPTION__NFFTPRECOMPUTE__NFFT_PRE_FULL_PSI (32_int64)
309
#define OPTION__NFFTPRECOMPUTE__NFFT_PRE_LIN_PSI (4_int64)
310
#define OPTION__NFFTPRECOMPUTE__NFFT_PRE_PSI (16_int64)
311
#define OPTION__OCTCONTROLFUNCTIONREPRESENTATION__CONTROL_FOURIER_SERIES (5_int64)
312
#define OPTION__OCTCONTROLFUNCTIONREPRESENTATION__CONTROL_FOURIER_SERIES_H (3_int64)
313
#define OPTION__OCTCONTROLFUNCTIONREPRESENTATION__CONTROL_RT (7_int64)
314
#define OPTION__OCTCONTROLFUNCTIONREPRESENTATION__CONTROL_ZERO_FOURIER_SERIES (6_int64)
315
#define OPTION__OCTCONTROLFUNCTIONREPRESENTATION__CONTROL_ZERO_FOURIER_SERIES_H (4_int64)
316
#define OPTION__OCTCONTROLFUNCTIONTYPE__CONTROLFUNCTION_MODE_EPSILON (1_int64)
317
#define OPTION__OCTCONTROLFUNCTIONTYPE__CONTROLFUNCTION_MODE_F (2_int64)
318
#define OPTION__OCTCURRENTFUNCTIONAL__OCT_CURR_SQUARE (1_int64)
319
#define OPTION__OCTCURRENTFUNCTIONAL__OCT_CURR_SQUARE_TD (3_int64)
320
#define OPTION__OCTCURRENTFUNCTIONAL__OCT_MAX_CURR_RING (2_int64)
321
#define OPTION__OCTCURRENTFUNCTIONAL__OCT_NO_CURR (0_int64)
322
#define OPTION__OCTFILTER__FREQUENCY_FILTER (1_int64)
323
#define OPTION__OCTINITIALSTATE__OCT_IS_EXCITED (2_int64)
324
#define OPTION__OCTINITIALSTATE__OCT_IS_GROUNDSTATE (1_int64)
325
#define OPTION__OCTINITIALSTATE__OCT_IS_GSTRANSFORMATION (3_int64)
326
#define OPTION__OCTINITIALSTATE__OCT_IS_USERDEFINED (4_int64)
327
#define OPTION__OCTSCHEME__OCT_BFGS (8_int64)
328
#define OPTION__OCTSCHEME__OCT_CG (7_int64)
329
#define OPTION__OCTSCHEME__OCT_DIRECT (9_int64)
330
#define OPTION__OCTSCHEME__OCT_KROTOV (5_int64)
331
#define OPTION__OCTSCHEME__OCT_MT03 (4_int64)
332
#define OPTION__OCTSCHEME__OCT_NLOPT_BOBYQA (11_int64)
333
#define OPTION__OCTSCHEME__OCT_NLOPT_LBFGS (12_int64)
334
#define OPTION__OCTSCHEME__OCT_STRAIGHT_ITERATION (6_int64)
335
#define OPTION__OCTSCHEME__OCT_WG05 (3_int64)
336
#define OPTION__OCTSCHEME__OCT_ZBR98 (1_int64)
337
#define OPTION__OCTSCHEME__OCT_ZR98 (2_int64)
338
#define OPTION__OCTTARGETOPERATOR__OCT_TG_CLASSICAL (13_int64)
339
#define OPTION__OCTTARGETOPERATOR__OCT_TG_EXCITED (2_int64)
340
#define OPTION__OCTTARGETOPERATOR__OCT_TG_EXCLUDE_STATE (8_int64)
341
#define OPTION__OCTTARGETOPERATOR__OCT_TG_GROUNDSTATE (1_int64)
342
#define OPTION__OCTTARGETOPERATOR__OCT_TG_GSTRANSFORMATION (3_int64)
343
#define OPTION__OCTTARGETOPERATOR__OCT_TG_HHG (9_int64)
344
#define OPTION__OCTTARGETOPERATOR__OCT_TG_HHGNEW (12_int64)
345
#define OPTION__OCTTARGETOPERATOR__OCT_TG_JDENSITY (5_int64)
346
#define OPTION__OCTTARGETOPERATOR__OCT_TG_LOCAL (6_int64)
347
#define OPTION__OCTTARGETOPERATOR__OCT_TG_SPIN (14_int64)
348
#define OPTION__OCTTARGETOPERATOR__OCT_TG_TD_LOCAL (7_int64)
349
#define OPTION__OCTTARGETOPERATOR__OCT_TG_USERDEFINED (4_int64)
350
#define OPTION__OCTTARGETOPERATOR__OCT_TG_VELOCITY (10_int64)
351
#define OPTION__OEPLEVEL__OEP_FULL (5_int64)
352
#define OPTION__OEPLEVEL__OEP_KLI (3_int64)
353
#define OPTION__OEPLEVEL__OEP_NONE (1_int64)
354
#define OPTION__OEPMIXINGSCHEME__OEP_MIXING_SCHEME_BB (2_int64)
355
#define OPTION__OEPMIXINGSCHEME__OEP_MIXING_SCHEME_CONST (1_int64)
356
#define OPTION__OEPMIXINGSCHEME__OEP_MIXING_SCHEME_DENS (3_int64)
357
#define OPTION__OEPMIXINGSCHEME__OEP_MIXING_SCHEME_BB (2_int64)
358
#define OPTION__OEPMIXINGSCHEME__OEP_MIXING_SCHEME_CONST (1_int64)
359
#define OPTION__OEPMIXINGSCHEME__OEP_MIXING_SCHEME_DENS (3_int64)
360
#define OPTION__OPERATEACCEL__INVMAP (1_int64)
361
#define OPTION__OPERATEACCEL__MAP (2_int64)
362
#define OPTION__OPERATECOMPLEX__FORTRAN (0_int64)
363
#define OPTION__OPERATECOMPLEX__OPTIMIZED (1_int64)
364
#define OPTION__OPERATEDOUBLE__FORTRAN (0_int64)
365
#define OPTION__OPERATEDOUBLE__OPTIMIZED (1_int64)
366
#define OPTION__OUTPUTFORMAT__ASCII (16777216_int64)
367
#define OPTION__OUTPUTFORMAT__AXIS_X (1_int64)
368
#define OPTION__OUTPUTFORMAT__AXIS_Y (2_int64)
369
#define OPTION__OUTPUTFORMAT__AXIS_Z (4_int64)
370
#define OPTION__OUTPUTFORMAT__BILD (524288_int64)
371
#define OPTION__OUTPUTFORMAT__BINARY (8192_int64)
372
#define OPTION__OUTPUTFORMAT__BOUNDARY_POINTS (4096_int64)
373
#define OPTION__OUTPUTFORMAT__CUBE (65536_int64)
374
#define OPTION__OUTPUTFORMAT__DX (64_int64)
375
#define OPTION__OUTPUTFORMAT__ETSF (16384_int64)
376
#define OPTION__OUTPUTFORMAT__INTEGRATE_XY (2097152_int64)
377
#define OPTION__OUTPUTFORMAT__INTEGRATE_XZ (4194304_int64)
378
#define OPTION__OUTPUTFORMAT__INTEGRATE_YZ (8388608_int64)
379
#define OPTION__OUTPUTFORMAT__MATLAB (1024_int64)
380
#define OPTION__OUTPUTFORMAT__MESH_INDEX (256_int64)
381
#define OPTION__OUTPUTFORMAT__MESHGRID (2048_int64)
382
#define OPTION__OUTPUTFORMAT__NETCDF (128_int64)
383
#define OPTION__OUTPUTFORMAT__PLANE_X (8_int64)
384
#define OPTION__OUTPUTFORMAT__PLANE_Y (16_int64)
385
#define OPTION__OUTPUTFORMAT__PLANE_Z (32_int64)
386
#define OPTION__OUTPUTFORMAT__VTK (1048576_int64)
387
#define OPTION__OUTPUTFORMAT__XCRYSDEN (512_int64)
388
#define OPTION__OUTPUTFORMAT__XYZ (32768_int64)
389
#define OPTION__OUTPUTMATRIXELEMENTS__ANG_MOMENTUM (2_int64)
390
#define OPTION__OUTPUTMATRIXELEMENTS__DIPOLE (7_int64)
391
#define OPTION__OUTPUTMATRIXELEMENTS__KS_MULTIPOLES (6_int64)
392
#define OPTION__OUTPUTMATRIXELEMENTS__MOMENTUM (1_int64)
393
#define OPTION__OUTPUTMATRIXELEMENTS__ONE_BODY (3_int64)
394
#define OPTION__OUTPUTMATRIXELEMENTS__TWO_BODY (4_int64)
395
#define OPTION__OUTPUTMATRIXELEMENTS__TWO_BODY_EXC_K (5_int64)
396
#define OPTION__OUTPUT__BADER (9_int64)
397
#define OPTION__OUTPUT__BERKELEYGW (23_int64)
398
#define OPTION__OUTPUT__ELF (7_int64)
399
#define OPTION__OUTPUT__ELF_BASINS (8_int64)
400
#define OPTION__OUTPUT__J_FLOW (32_int64)
401
#define OPTION__OUTPUT__PES (22_int64)
402
#define OPTION__OUTPUT__PES_DENSITY (21_int64)
403
#define OPTION__OUTPUT__PES_WFS (20_int64)
404
#define OPTION__OUTPUT__CURRENT (6_int64)
405
#define OPTION__OUTPUT__CURRENT_DIA (43_int64)
406
#define OPTION__OUTPUT__CURRENT_KPT (33_int64)
407
#define OPTION__OUTPUT__DELTA_PERTURBATION (24_int64)
408
#define OPTION__OUTPUT__DENSITY (2_int64)
409
#define OPTION__OUTPUT__DENSITY_KPT (34_int64)
410
#define OPTION__OUTPUT__DOS (15_int64)
411
#define OPTION__OUTPUT__EFFECTIVEU (36_int64)
412
#define OPTION__OUTPUT__EIGENVAL_KPT (41_int64)
413
#define OPTION__OUTPUT__EL_PRESSURE (10_int64)
414
#define OPTION__OUTPUT__ENERGY_DENSITY (29_int64)
415
#define OPTION__OUTPUT__EXTERNAL_TD_POTENTIAL (25_int64)
416
#define OPTION__OUTPUT__FORCES (17_int64)
417
#define OPTION__OUTPUT__GEOMETRY (5_int64)
418
#define OPTION__OUTPUT__HEAT_CURRENT (30_int64)
419
#define OPTION__OUTPUT__JDOS (44_int64)
420
#define OPTION__OUTPUT__KANAMORIU (39_int64)
421
#define OPTION__OUTPUT__KINETIC_ENERGY_DENSITY (14_int64)
422
#define OPTION__OUTPUT__LDOS (45_int64)
423
#define OPTION__OUTPUT__LOCAL_ORBITALS (38_int64)
424
#define OPTION__OUTPUT__MAGNETIZATION (37_int64)
425
#define OPTION__OUTPUT__MATRIX_ELEMENTS (11_int64)
426
#define OPTION__OUTPUT__MESH_R (13_int64)
427
#define OPTION__OUTPUT__MMB_DEN (27_int64)
428
#define OPTION__OUTPUT__MMB_WFS (26_int64)
429
#define OPTION__OUTPUT__OCC_MATRICES (35_int64)
430
#define OPTION__OUTPUT__PHOTON_CORRELATOR (31_int64)
431
#define OPTION__OUTPUT__POL_DENSITY (12_int64)
432
#define OPTION__OUTPUT__POTENTIAL (1_int64)
433
#define OPTION__OUTPUT__POTENTIAL_GRADIENT (28_int64)
434
#define OPTION__OUTPUT__STRESS (42_int64)
435
#define OPTION__OUTPUT__TPA (16_int64)
436
#define OPTION__OUTPUT__WFS (3_int64)
437
#define OPTION__OUTPUT__WFS_FOURIER (18_int64)
438
#define OPTION__OUTPUT__WFS_SQMOD (4_int64)
439
#define OPTION__OUTPUT__XC_DENSITY (19_int64)
440
#define OPTION__OUTPUT__XC_TORQUE (40_int64)
441
#define OPTION__PCMCALCMETHOD__PCM_DIRECT (1_int64)
442
#define OPTION__PCMCALCMETHOD__PCM_POISSON (2_int64)
443
#define OPTION__PCMEPSILONMODEL__PCM_DEBYE (1_int64)
444
#define OPTION__PCMEPSILONMODEL__PCM_DRUDE (2_int64)
445
#define OPTION__PCMTDLEVEL__EOM (2_int64)
446
#define OPTION__PCMTDLEVEL__EQ (0_int64)
447
#define OPTION__PCMTDLEVEL__NEQ (1_int64)
448
#define OPTION__PCMVDWRADII__PCM_VDW_OPTIMIZED (1_int64)
449
#define OPTION__PCMVDWRADII__PCM_VDW_SPECIES (2_int64)
450
#define OPTION__PESMASKMODE__FULLMASK_MODE (2_int64)
451
#define OPTION__PESMASKMODE__MASK_MODE (1_int64)
452
#define OPTION__PESMASKMODE__PASSIVE_MODE (3_int64)
453
#define OPTION__PESMASKPLANEWAVEPROJECTION__FFT_MAP (3_int64)
454
#define OPTION__PESMASKPLANEWAVEPROJECTION__FFT_OUT (2_int64)
455
#define OPTION__PESMASKPLANEWAVEPROJECTION__NFFT_MAP (5_int64)
456
#define OPTION__PESMASKPLANEWAVEPROJECTION__PFFT_MAP (6_int64)
457
#define OPTION__PESMASKPLANEWAVEPROJECTION__PNFFT_MAP (7_int64)
458
#define OPTION__PESMASKSHAPE__M_ERF (3_int64)
459
#define OPTION__PESMASKSHAPE__M_SIN2 (1_int64)
460
#define OPTION__PESMASKSHAPE__M_STEP (2_int64)
461
#define OPTION__PES_FLUX_MOMENUTUM_GRID__CARTESIAN (2_int64)
462
#define OPTION__PES_FLUX_MOMENUTUM_GRID__POLAR (1_int64)
463
#define OPTION__PES_FLUX_PARALLELIZATION__PF_MOMENTUM (8_int64)
464
#define OPTION__PES_FLUX_PARALLELIZATION__PF_NONE (2_int64)
465
#define OPTION__PES_FLUX_PARALLELIZATION__PF_SURFACE (16_int64)
466
#define OPTION__PES_FLUX_PARALLELIZATION__PF_TIME (4_int64)
467
#define OPTION__PES_FLUX_SHAPE__CUB (1_int64)
468
#define OPTION__PES_FLUX_SHAPE__PLN (3_int64)
469
#define OPTION__PES_FLUX_SHAPE__SPH (2_int64)
470
#define OPTION__PES_SPM_RECIPE__PHASE (2_int64)
471
#define OPTION__PES_SPM_RECIPE__RAW (1_int64)
472
#define OPTION__PARDOMAINS__AUTO (-1_int64)
473
#define OPTION__PARDOMAINS__NO (0_int64)
474
#define OPTION__PARKPOINTS__AUTO (-1_int64)
475
#define OPTION__PARKPOINTS__NO (0_int64)
476
#define OPTION__PAROTHER__AUTO (-1_int64)
477
#define OPTION__PAROTHER__NO (0_int64)
478
#define OPTION__PARSTATES__AUTO (-1_int64)
479
#define OPTION__PARSTATES__NO (0_int64)
480
#define OPTION__PARALLELIZATIONOFDERIVATIVES__BLOCKING (1_int64)
481
#define OPTION__PARALLELIZATIONOFDERIVATIVES__NON_BLOCKING (2_int64)
482
#define OPTION__PAULIHAMILTONIANTERMS__NON_UNIFORM_VECTOR_POTENTIAL (2_int64)
483
#define OPTION__PAULIHAMILTONIANTERMS__ZEEMAN_TERM (4_int64)
484
#define OPTION__PHOTOELECTRONSPECTRUM__NONE (0_int64)
485
#define OPTION__PHOTOELECTRONSPECTRUM__PES_FLUX (8_int64)
486
#define OPTION__PHOTOELECTRONSPECTRUM__PES_MASK (4_int64)
487
#define OPTION__PHOTOELECTRONSPECTRUM__PES_SPM (2_int64)
488
#define OPTION__PHOTOELECTRONSPECTRUMOUTPUT__ARPES (7_int64)
489
#define OPTION__PHOTOELECTRONSPECTRUMOUTPUT__ARPES_CUT (8_int64)
490
#define OPTION__PHOTOELECTRONSPECTRUMOUTPUT__ENERGY_ANGLE (2_int64)
491
#define OPTION__PHOTOELECTRONSPECTRUMOUTPUT__ENERGY_TH_PH (5_int64)
492
#define OPTION__PHOTOELECTRONSPECTRUMOUTPUT__ENERGY_TOT (1_int64)
493
#define OPTION__PHOTOELECTRONSPECTRUMOUTPUT__ENERGY_XY (4_int64)
494
#define OPTION__PHOTOELECTRONSPECTRUMOUTPUT__VELOCITY_MAP (6_int64)
495
#define OPTION__PHOTOELECTRONSPECTRUMOUTPUT__VELOCITY_MAP_CUT (3_int64)
496
#define OPTION__PHOTONXCENERGYMETHOD__LDA (3_int64)
497
#define OPTION__PHOTONXCENERGYMETHOD__EXPECTATION_VALUE (2_int64)
498
#define OPTION__PHOTONXCENERGYMETHOD__VIRIAL (1_int64)
499
#define OPTION__POISSONFFTKERNEL__CYLINDRICAL (1_int64)
500
#define OPTION__POISSONFFTKERNEL__FFT_NOCUT (3_int64)
501
#define OPTION__POISSONFFTKERNEL__MULTIPOLE_CORRECTION (4_int64)
502
#define OPTION__POISSONFFTKERNEL__PLANAR (2_int64)
503
#define OPTION__POISSONFFTKERNEL__SPHERICAL (0_int64)
504
#define OPTION__POISSONMULTIGRIDCYCLE__FMG (3_int64)
505
#define OPTION__POISSONMULTIGRIDCYCLE__V_SHAPE (1_int64)
506
#define OPTION__POISSONMULTIGRIDCYCLE__W_SHAPE (2_int64)
507
#define OPTION__POISSONSOLVERBOUNDARIES__EXACT (3_int64)
508
#define OPTION__POISSONSOLVERBOUNDARIES__MULTIPOLE (1_int64)
509
#define OPTION__POISSONSOLVER__NOPOISSON (-99_int64)
510
#define OPTION__POISSONSOLVER__CG (5_int64)
511
#define OPTION__POISSONSOLVER__CG_CORRECTED (6_int64)
512
#define OPTION__POISSONSOLVER__DIRECT_SUM (-1_int64)
513
#define OPTION__POISSONSOLVER__FFT (0_int64)
514
#define OPTION__POISSONSOLVER__ISF (8_int64)
515
#define OPTION__POISSONSOLVER__MULTIGRID (7_int64)
516
#define OPTION__POISSONSOLVER__PSOLVER (10_int64)
517
#define OPTION__PRECONDITIONER__NO (0_int64)
518
#define OPTION__PRECONDITIONER__PRE_FILTER (1_int64)
519
#define OPTION__PRECONDITIONER__PRE_JACOBI (2_int64)
520
#define OPTION__PRECONDITIONER__PRE_MULTIGRID (7_int64)
521
#define OPTION__PRECONDITIONER__PRE_POISSON (3_int64)
522
#define OPTION__PROFILINGMODE__LIKWID (8_int64)
523
#define OPTION__PROFILINGMODE__NO (0_int64)
524
#define OPTION__PROFILINGMODE__PROF_IO (16_int64)
525
#define OPTION__PROFILINGMODE__PROF_MEMORY (2_int64)
526
#define OPTION__PROFILINGMODE__PROF_MEMORY_FULL (4_int64)
527
#define OPTION__PROFILINGMODE__PROF_TIME (1_int64)
528
#define OPTION__PROPAGATIONSPECTRUMDAMPMODE__EXPONENTIAL (1_int64)
529
#define OPTION__PROPAGATIONSPECTRUMDAMPMODE__GAUSSIAN (3_int64)
530
#define OPTION__PROPAGATIONSPECTRUMDAMPMODE__NONE (0_int64)
531
#define OPTION__PROPAGATIONSPECTRUMDAMPMODE__POLYNOMIAL (2_int64)
532
#define OPTION__PROPAGATIONSPECTRUMTRANSFORM__COSINE (3_int64)
533
#define OPTION__PROPAGATIONSPECTRUMTRANSFORM__LAPLACE (1_int64)
534
#define OPTION__PROPAGATIONSPECTRUMTRANSFORM__SINE (2_int64)
535
#define OPTION__PROPAGATIONSPECTRUMTYPE__ABSORPTIONSPECTRUM (1_int64)
536
#define OPTION__PROPAGATIONSPECTRUMTYPE__DIPOLEPOWER (3_int64)
537
#define OPTION__PROPAGATIONSPECTRUMTYPE__ENERGYLOSSSPECTRUM (2_int64)
538
#define OPTION__PROPAGATIONSPECTRUMTYPE__ROTATORYSTRENGTH (4_int64)
539
#define OPTION__PSEUDOPOTENTIALSET__HGH_LDA (3_int64)
540
#define OPTION__PSEUDOPOTENTIALSET__HGH_LDA_SC (31_int64)
541
#define OPTION__PSEUDOPOTENTIALSET__HSCV_LDA (4_int64)
542
#define OPTION__PSEUDOPOTENTIALSET__HSCV_PBE (5_int64)
543
#define OPTION__PSEUDOPOTENTIALSET__NONE (0_int64)
544
#define OPTION__PSEUDOPOTENTIALSET__PSEUDODOJO_LDA (103_int64)
545
#define OPTION__PSEUDOPOTENTIALSET__PSEUDODOJO_PBE (100_int64)
546
#define OPTION__PSEUDOPOTENTIALSET__PSEUDODOJO_PBE_FR (106_int64)
547
#define OPTION__PSEUDOPOTENTIALSET__PSEUDODOJO_PBESOL (105_int64)
548
#define OPTION__PSEUDOPOTENTIALSET__SG15 (2_int64)
549
#define OPTION__PSEUDOPOTENTIALSET__STANDARD (1_int64)
550
#define OPTION__REGRIDDINGINTERPOLATIONLEVEL__REGRIDDING_LINEAR (1_int64)
551
#define OPTION__REGRIDDINGINTERPOLATIONLEVEL__REGRIDDING_NEAREST_NEIGHBOR (0_int64)
552
#define OPTION__REGRIDDINGRESCALE__SCALE_NONE (0_int64)
553
#define OPTION__REGRIDDINGRESCALE__SCALE_NORM2 (1_int64)
554
#define OPTION__REGULARIZATIONFUNCTION__COS2 (1_int64)
555
#define OPTION__RELATIVISTICCORRECTION__FULLY_RELATIVISTIC_ZORA (3_int64)
556
#define OPTION__RELATIVISTICCORRECTION__NON_RELATIVISTIC (0_int64)
557
#define OPTION__RELATIVISTICCORRECTION__SCALAR_RELATIVISTIC_ZORA (2_int64)
558
#define OPTION__RELATIVISTICCORRECTION__SPIN_ORBIT (1_int64)
559
#define OPTION__RESPONSEMETHOD__FINITE_DIFFERENCES (2_int64)
560
#define OPTION__RESPONSEMETHOD__STERNHEIMER (1_int64)
561
#define OPTION__RESTARTOPTIONS__RESTART_ALL (0_int64)
562
#define OPTION__RESTARTOPTIONS__RESTART_CASIDA (9_int64)
563
#define OPTION__RESTARTOPTIONS__RESTART_EM_RESP (4_int64)
564
#define OPTION__RESTARTOPTIONS__RESTART_EM_RESP_FD (5_int64)
565
#define OPTION__RESTARTOPTIONS__RESTART_GS (1_int64)
566
#define OPTION__RESTARTOPTIONS__RESTART_KDOTP (6_int64)
567
#define OPTION__RESTARTOPTIONS__RESTART_MIX (8_int64)
568
#define OPTION__RESTARTOPTIONS__RESTART_OCT (10_int64)
569
#define OPTION__RESTARTOPTIONS__RESTART_PARTITION (11_int64)
570
#define OPTION__RESTARTOPTIONS__RESTART_PROJ (12_int64)
571
#define OPTION__RESTARTOPTIONS__RESTART_RHO (2_int64)
572
#define OPTION__RESTARTOPTIONS__RESTART_SKIP (16_int64)
573
#define OPTION__RESTARTOPTIONS__RESTART_STATES (1_int64)
574
#define OPTION__RESTARTOPTIONS__RESTART_TD (3_int64)
575
#define OPTION__RESTARTOPTIONS__RESTART_UNOCC (2_int64)
576
#define OPTION__RESTARTOPTIONS__RESTART_VDW (8_int64)
577
#define OPTION__RESTARTOPTIONS__RESTART_VHXC (4_int64)
578
#define OPTION__RESTARTOPTIONS__RESTART_VIB_MODES (7_int64)
579
#define OPTION__ROOTSOLVER__ROOT_NEWTON (3_int64)
580
#define OPTION__SICCORRECTION__SIC_ADSIC (4_int64)
581
#define OPTION__SICCORRECTION__SIC_AMALDI (3_int64)
582
#define OPTION__SICCORRECTION__SIC_NONE (1_int64)
583
#define OPTION__SICCORRECTION__SIC_PZ (2_int64)
584
#define OPTION__SPARSKITSOLVER__SK_BCG (3_int64)
585
#define OPTION__SPARSKITSOLVER__SK_BCGSTAB (5_int64)
586
#define OPTION__SPARSKITSOLVER__SK_CG (1_int64)
587
#define OPTION__SPARSKITSOLVER__SK_CGNR (2_int64)
588
#define OPTION__SPARSKITSOLVER__SK_DBCG (4_int64)
589
#define OPTION__SPARSKITSOLVER__SK_DQGMRES (10_int64)
590
#define OPTION__SPARSKITSOLVER__SK_FGMRES (9_int64)
591
#define OPTION__SPARSKITSOLVER__SK_FOM (7_int64)
592
#define OPTION__SPARSKITSOLVER__SK_GMRES (8_int64)
593
#define OPTION__SPARSKITSOLVER__SK_TFQMR (6_int64)
594
#define OPTION__SMEARINGFUNCTION__COLD_SMEARING (3_int64)
595
#define OPTION__SMEARINGFUNCTION__FERMI_DIRAC (2_int64)
596
#define OPTION__SMEARINGFUNCTION__METHFESSEL_PAXTON (4_int64)
597
#define OPTION__SMEARINGFUNCTION__SEMICONDUCTING (1_int64)
598
#define OPTION__SMEARINGFUNCTION__SPLINE_SMEARING (5_int64)
599
#define OPTION__SPECIES__ANC_A (-10022_int64)
600
#define OPTION__SPECIES__DB_FILE (-10011_int64)
601
#define OPTION__SPECIES__DENSITY_FORMULA (-10013_int64)
602
#define OPTION__SPECIES__FILE (-10010_int64)
603
#define OPTION__SPECIES__GAUSSIAN_WIDTH (-10008_int64)
604
#define OPTION__SPECIES__HUBBARD_ALPHA (-10021_int64)
605
#define OPTION__SPECIES__HUBBARD_J (-10020_int64)
606
#define OPTION__SPECIES__HUBBARD_L (-10018_int64)
607
#define OPTION__SPECIES__HUBBARD_U (-10019_int64)
608
#define OPTION__SPECIES__JELLIUM_RADIUS (-10007_int64)
609
#define OPTION__SPECIES__LLOC (-10004_int64)
610
#define OPTION__SPECIES__LMAX (-10003_int64)
611
#define OPTION__SPECIES__MASS (-10005_int64)
612
#define OPTION__SPECIES__POTENTIAL_FORMULA (-10012_int64)
613
#define OPTION__SPECIES__SET (-10017_int64)
614
#define OPTION__SPECIES__SOFTENING (-10009_int64)
615
#define OPTION__SPECIES__SPECIES_CHARGE_DENSITY (-125_int64)
616
#define OPTION__SPECIES__SPECIES_FROM_FILE (-126_int64)
617
#define OPTION__SPECIES__SPECIES_FULL_ANC (-130_int64)
618
#define OPTION__SPECIES__SPECIES_FULL_DELTA (-127_int64)
619
#define OPTION__SPECIES__SPECIES_FULL_GAUSSIAN (-124_int64)
620
#define OPTION__SPECIES__SPECIES_JELLIUM (-3_int64)
621
#define OPTION__SPECIES__SPECIES_JELLIUM_CHARGE_DENSITY (-129_int64)
622
#define OPTION__SPECIES__SPECIES_JELLIUM_SLAB (-4_int64)
623
#define OPTION__SPECIES__SPECIES_POINT (-3_int64)
624
#define OPTION__SPECIES__SPECIES_PSEUDO (-7_int64)
625
#define OPTION__SPECIES__SPECIES_PSPIO (-110_int64)
626
#define OPTION__SPECIES__SPECIES_SOFT_COULOMB (-128_int64)
627
#define OPTION__SPECIES__SPECIES_USER_DEFINED (-123_int64)
628
#define OPTION__SPECIES__THICKNESS (-10014_int64)
629
#define OPTION__SPECIES__VALENCE (-10006_int64)
630
#define OPTION__SPECIES__VDW_RADIUS (-10015_int64)
631
#define OPTION__SPECIES__VOLUME (-10016_int64)
632
#define OPTION__SPECTRUMMETHOD__COMPRESSED_SENSING (2_int64)
633
#define OPTION__SPECTRUMMETHOD__FOURIER (1_int64)
634
#define OPTION__SPINCOMPONENTS__NON_COLLINEAR (3_int64)
635
#define OPTION__SPINCOMPONENTS__POLARIZED (2_int64)
636
#define OPTION__SPINCOMPONENTS__SPIN_POLARIZED (2_int64)
637
#define OPTION__SPINCOMPONENTS__SPINORS (3_int64)
638
#define OPTION__SPINCOMPONENTS__UNPOLARIZED (1_int64)
639
#define OPTION__STATESORTHOGONALIZATION__CGS (3_int64)
640
#define OPTION__STATESORTHOGONALIZATION__CHOLESKY_PARALLEL (2_int64)
641
#define OPTION__STATESORTHOGONALIZATION__CHOLESKY_SERIAL (1_int64)
642
#define OPTION__STATESORTHOGONALIZATION__DRCGS (5_int64)
643
#define OPTION__STATESORTHOGONALIZATION__MGS (4_int64)
644
#define OPTION__STATESRANDOMIZATION__PAR_DEPENDENT (2_int64)
645
#define OPTION__STATESRANDOMIZATION__PAR_INDEPENDENT (1_int64)
646
#define OPTION__STATICEXTERNALPOTENTIALS__DENSITY_FORMULA (-10013_int64)
647
#define OPTION__STATICEXTERNALPOTENTIALS__FILE (-10010_int64)
648
#define OPTION__STATICEXTERNALPOTENTIALS__POTENTIAL_CHARGE_DENSITY (-203_int64)
649
#define OPTION__STATICEXTERNALPOTENTIALS__POTENTIAL_FORMULA (-10012_int64)
650
#define OPTION__STATICEXTERNALPOTENTIALS__POTENTIAL_FROM_FILE (-202_int64)
651
#define OPTION__STATICEXTERNALPOTENTIALS__POTENTIAL_USER_DEFINED (-201_int64)
652
#define OPTION__STATICMAGNETICFIELD2DGAUGE__LINEAR_XY (0_int64)
653
#define OPTION__STATICMAGNETICFIELD2DGAUGE__LINEAR_Y (1_int64)
654
#define OPTION__SUBSPACEDIAGONALIZATION__NONE (0_int64)
655
#define OPTION__SUBSPACEDIAGONALIZATION__SCALAPACK (3_int64)
656
#define OPTION__SUBSPACEDIAGONALIZATION__STANDARD (1_int64)
657
#define OPTION__SYSTEMS__CHARGED_PARTICLE (4_int64)
658
#define OPTION__SYSTEMS__CLASSICAL_PARTICLE (3_int64)
659
#define OPTION__SYSTEMS__DFTBPLUS (5_int64)
660
#define OPTION__SYSTEMS__DISPERSIVE_MEDIUM (8_int64)
661
#define OPTION__SYSTEMS__ELECTRONIC (1_int64)
662
#define OPTION__SYSTEMS__ENSEMBLE (11_int64)
663
#define OPTION__SYSTEMS__IONS (10_int64)
664
#define OPTION__SYSTEMS__LINEAR_MEDIUM (6_int64)
665
#define OPTION__SYSTEMS__MATTER (7_int64)
666
#define OPTION__SYSTEMS__MAXWELL (2_int64)
667
#define OPTION__SYSTEMS__MULTISYSTEM (9_int64)
668
#define OPTION__TDDELTASTRENGTHMODE__KICK_DENSITY (0_int64)
669
#define OPTION__TDDELTASTRENGTHMODE__KICK_MAGNON (3_int64)
670
#define OPTION__TDDELTASTRENGTHMODE__KICK_SPIN (1_int64)
671
#define OPTION__TDDELTASTRENGTHMODE__KICK_SPIN_AND_DENSITY (2_int64)
672
#define OPTION__TDDYNAMICS__BO (2_int64)
673
#define OPTION__TDDYNAMICS__EHRENFEST (1_int64)
674
#define OPTION__TDEXPONENTIALMETHOD__CHEBYSHEV (4_int64)
675
#define OPTION__TDEXPONENTIALMETHOD__LANCZOS (2_int64)
676
#define OPTION__TDEXPONENTIALMETHOD__TAYLOR (3_int64)
677
#define OPTION__TDEXTERNALFIELDS__ELECTRIC_FIELD (1_int64)
678
#define OPTION__TDEXTERNALFIELDS__MAGNETIC_FIELD (2_int64)
679
#define OPTION__TDEXTERNALFIELDS__SCALAR_POTENTIAL (4_int64)
680
#define OPTION__TDEXTERNALFIELDS__VECTOR_POTENTIAL (3_int64)
681
#define OPTION__TDFREEZEORBITALS__SAE (-1_int64)
682
#define OPTION__TDFUNCTIONS__TDF_COSINOIDAL (10004_int64)
683
#define OPTION__TDFUNCTIONS__TDF_CW (10002_int64)
684
#define OPTION__TDFUNCTIONS__TDF_FROM_EXPR (10008_int64)
685
#define OPTION__TDFUNCTIONS__TDF_FROM_FILE (10006_int64)
686
#define OPTION__TDFUNCTIONS__TDF_GAUSSIAN (10003_int64)
687
#define OPTION__TDFUNCTIONS__TDF_TRAPEZOIDAL (10005_int64)
688
#define OPTION__TDMOMENTUMTRANSFER__QBESSEL (4_int64)
689
#define OPTION__TDMOMENTUMTRANSFER__QCOS (2_int64)
690
#define OPTION__TDMOMENTUMTRANSFER__QEXP (1_int64)
691
#define OPTION__TDMOMENTUMTRANSFER__QSIN (3_int64)
692
#define OPTION__TDOUTPUTDFTU__EFFECTIVE_U (1_int64)
693
#define OPTION__TDOUTPUT__ANGULAR (2_int64)
694
#define OPTION__TDOUTPUT__CELL_PARAMETERS (30_int64)
695
#define OPTION__TDOUTPUT__COORDINATES_SEP (22_int64)
696
#define OPTION__TDOUTPUT__DIPOLE_ACCELERATION (6_int64)
697
#define OPTION__TDOUTPUT__DIPOLE_VELOCITY (14_int64)
698
#define OPTION__TDOUTPUT__EIGENVALUES (15_int64)
699
#define OPTION__TDOUTPUT__ENERGY (8_int64)
700
#define OPTION__TDOUTPUT__FORCES_SEP (24_int64)
701
#define OPTION__TDOUTPUT__FTCHD (13_int64)
702
#define OPTION__TDOUTPUT__GAUGE_FIELD (11_int64)
703
#define OPTION__TDOUTPUT__GEOMETRY (5_int64)
704
#define OPTION__TDOUTPUT__IONIZATION_CHANNELS (16_int64)
705
#define OPTION__TDOUTPUT__LASER (7_int64)
706
#define OPTION__TDOUTPUT__LOCAL_MAG_MOMENTS (10_int64)
707
#define OPTION__TDOUTPUT__MAXWELL_FIELD (28_int64)
708
#define OPTION__TDOUTPUT__MULTIPOLES (1_int64)
709
#define OPTION__TDOUTPUT__N_EXCITED_EL (21_int64)
710
#define OPTION__TDOUTPUT__NORM_KS_ORBITALS (29_int64)
711
#define OPTION__TDOUTPUT__PARTIAL_CHARGES (18_int64)
712
#define OPTION__TDOUTPUT__PHOTONS_Q (27_int64)
713
#define OPTION__TDOUTPUT__POPULATIONS (4_int64)
714
#define OPTION__TDOUTPUT__SPIN (3_int64)
715
#define OPTION__TDOUTPUT__TD_FLOQUET (20_int64)
716
#define OPTION__TDOUTPUT__TD_KPOINT_OCCUP (19_int64)
717
#define OPTION__TDOUTPUT__TD_OCCUP (9_int64)
718
#define OPTION__TDOUTPUT__TEMPERATURE (12_int64)
719
#define OPTION__TDOUTPUT__TOTAL_CURRENT (17_int64)
720
#define OPTION__TDOUTPUT__TOTAL_HEAT_CURRENT (25_int64)
721
#define OPTION__TDOUTPUT__TOTAL_MAGNETIZATION (26_int64)
722
#define OPTION__TDOUTPUT__VELOCITIES_SEP (23_int64)
723
#define OPTION__TDPROPAGATOR__AETRS (3_int64)
724
#define OPTION__TDPROPAGATOR__CAETRS (12_int64)
725
#define OPTION__TDPROPAGATOR__CFMAGNUS4 (16_int64)
726
#define OPTION__TDPROPAGATOR__CRANK_NICHOLSON (5_int64)
727
#define OPTION__TDPROPAGATOR__CRANK_NICHOLSON_SPARSKIT (6_int64)
728
#define OPTION__TDPROPAGATOR__CRANK_NICOLSON (5_int64)
729
#define OPTION__TDPROPAGATOR__CRANK_NICOLSON_SPARSKIT (6_int64)
730
#define OPTION__TDPROPAGATOR__ETRS (2_int64)
731
#define OPTION__TDPROPAGATOR__EXP_MID (4_int64)
732
#define OPTION__TDPROPAGATOR__EXPL_RUNGE_KUTTA4 (15_int64)
733
#define OPTION__TDPROPAGATOR__MAGNUS (7_int64)
734
#define OPTION__TDPROPAGATOR__QOCT_TDDFT_PROPAGATOR (10_int64)
735
#define OPTION__TDPROPAGATOR__RUNGE_KUTTA2 (14_int64)
736
#define OPTION__TDPROPAGATOR__RUNGE_KUTTA4 (13_int64)
737
#define OPTION__TDSTEPSWITHSELFCONSISTENCY__ALL_STEPS (-1_int64)
738
#define OPTION__TDSYSTEMPROPAGATOR__BEEMAN (2_int64)
739
#define OPTION__TDSYSTEMPROPAGATOR__BEEMAN_SCF (3_int64)
740
#define OPTION__TDSYSTEMPROPAGATOR__EXP_MID_2STEP (4_int64)
741
#define OPTION__TDSYSTEMPROPAGATOR__EXP_MID_2STEP_SCF (5_int64)
742
#define OPTION__TDSYSTEMPROPAGATOR__PROP_AETRS (6_int64)
743
#define OPTION__TDSYSTEMPROPAGATOR__PROP_BOMD (10_int64)
744
#define OPTION__TDSYSTEMPROPAGATOR__PROP_EXP_GAUSS1 (11_int64)
745
#define OPTION__TDSYSTEMPROPAGATOR__PROP_EXP_GAUSS2 (12_int64)
746
#define OPTION__TDSYSTEMPROPAGATOR__PROP_EXPMID (8_int64)
747
#define OPTION__TDSYSTEMPROPAGATOR__PROP_LEAPFROG (9_int64)
748
#define OPTION__TDSYSTEMPROPAGATOR__PROP_RK4 (7_int64)
749
#define OPTION__TDSYSTEMPROPAGATOR__STATIC (0_int64)
750
#define OPTION__TDSYSTEMPROPAGATOR__VERLET (1_int64)
751
#define OPTION__TESTBATCHOPS__OPS_AX_FUNCTION_PY (128_int64)
752
#define OPTION__TESTBATCHOPS__OPS_AXPY (2_int64)
753
#define OPTION__TESTBATCHOPS__OPS_DOTP_MATRIX (16_int64)
754
#define OPTION__TESTBATCHOPS__OPS_DOTP_SELF (32_int64)
755
#define OPTION__TESTBATCHOPS__OPS_DOTP_VECTOR (64_int64)
756
#define OPTION__TESTBATCHOPS__OPS_GET_POINTS (256_int64)
757
#define OPTION__TESTBATCHOPS__OPS_NRM2 (8_int64)
758
#define OPTION__TESTBATCHOPS__OPS_SCAL (4_int64)
759
#define OPTION__TESTHAMILTONIANAPPLY__TERM_ALL (0_int64)
760
#define OPTION__TESTHAMILTONIANAPPLY__TERM_KINETIC (1_int64)
761
#define OPTION__TESTHAMILTONIANAPPLY__TERM_LOCAL_POTENTIAL (2_int64)
762
#define OPTION__TESTHAMILTONIANAPPLY__TERM_NON_LOCAL_POTENTIAL (4_int64)
763
#define OPTION__TESTMODE__BATCH_OPS (13_int64)
764
#define OPTION__TESTMODE__BOUNDARIES (11_int64)
765
#define OPTION__TESTMODE__CGAL (20_int64)
766
#define OPTION__TESTMODE__CLOCK (18_int64)
767
#define OPTION__TESTMODE__COMPOSITION_CHEBYSHEV (35_int64)
768
#define OPTION__TESTMODE__CSV_INPUT (34_int64)
769
#define OPTION__TESTMODE__CURRENT_DENSITY (30_int64)
770
#define OPTION__TESTMODE__DENSE_EIGENSOLVER (21_int64)
771
#define OPTION__TESTMODE__DENSITY_CALC (9_int64)
772
#define OPTION__TESTMODE__DERIVATIVES (2_int64)
773
#define OPTION__TESTMODE__DFT_U (7_int64)
774
#define OPTION__TESTMODE__EXP_APPLY (10_int64)
775
#define OPTION__TESTMODE__GRID_INTERPOLATION (22_int64)
776
#define OPTION__TESTMODE__HAMILTONIAN_APPLY (8_int64)
777
#define OPTION__TESTMODE__HARTREE (1_int64)
778
#define OPTION__TESTMODE__HELMHOLTZ_DECOMPOSITION (28_int64)
779
#define OPTION__TESTMODE__IIHASH (23_int64)
780
#define OPTION__TESTMODE__INTERPOLATION (4_int64)
781
#define OPTION__TESTMODE__ION_INTERACTION (5_int64)
782
#define OPTION__TESTMODE__LINEAR_SOLVER (19_int64)
783
#define OPTION__TESTMODE__MIXING_TESTS (31_int64)
784
#define OPTION__TESTMODE__MPIWRAPPERS (26_int64)
785
#define OPTION__TESTMODE__OPTIMIZERS (32_int64)
786
#define OPTION__TESTMODE__ORTHOGONALIZATION (3_int64)
787
#define OPTION__TESTMODE__PROJECTOR (6_int64)
788
#define OPTION__TESTMODE__REGRIDDING (27_int64)
789
#define OPTION__TESTMODE__SIHASH (24_int64)
790
#define OPTION__TESTMODE__SPHASH (25_int64)
791
#define OPTION__TESTMODE__SUBSPACE_DIAG (12_int64)
792
#define OPTION__TESTMODE__VECPOT_ANALYTICAL (29_int64)
793
#define OPTION__TESTMODE__WEIGHTED_KMEANS (33_int64)
794
#define OPTION__TESTTYPE__ALL (3_int64)
795
#define OPTION__TESTTYPE__COMPLEX (2_int64)
796
#define OPTION__TESTTYPE__REAL (1_int64)
797
#define OPTION__TESTVECTORPOTENTIALTYPE__BOUNDED (1_int64)
798
#define OPTION__TESTVECTORPOTENTIALTYPE__UNBOUNDED (2_int64)
799
#define OPTION__THEORYLEVEL__GENERALIZED_KOHN_SHAM (5_int64)
800
#define OPTION__THEORYLEVEL__HARTREE (1_int64)
801
#define OPTION__THEORYLEVEL__HARTREE_FOCK (3_int64)
802
#define OPTION__THEORYLEVEL__INDEPENDENT_PARTICLES (2_int64)
803
#define OPTION__THEORYLEVEL__KOHN_SHAM (4_int64)
804
#define OPTION__THEORYLEVEL__RDMFT (7_int64)
805
#define OPTION__THERMOSTAT__NONE (0_int64)
806
#define OPTION__THERMOSTAT__NOSE_HOOVER (2_int64)
807
#define OPTION__THERMOSTAT__VELOCITY_SCALING (1_int64)
808
#define OPTION__TRANSVERSEFIELDCALCULATION__HELMHOLTZ (1_int64)
809
#define OPTION__TRANSVERSEFIELDCALCULATION__TOTAL_MINUS_LONG (2_int64)
810
#define OPTION__UNFOLDMODE__UNFOLD_RUN (4_int64)
811
#define OPTION__UNFOLDMODE__UNFOLD_SETUP (2_int64)
812
#define OPTION__UNITSOUTPUT__ATOMIC (0_int64)
813
#define OPTION__UNITSOUTPUT__EV_ANGSTROM (1_int64)
814
#define OPTION__UNITSXYZFILES__ANGSTROM_UNITS (1_int64)
815
#define OPTION__UNITSXYZFILES__BOHR_UNITS (0_int64)
816
#define OPTION__UNITS__ANGSTROM (1.8897261328856432_int64)
817
#define OPTION__UNITS__AS (0.0413413737896_int64)
818
#define OPTION__UNITS__ATTOSECOND (0.0413413737896_int64)
819
#define OPTION__UNITS__C (137.035999139_int64)
820
#define OPTION__UNITS__ELECTRONVOLT (0.03674932539796232_int64)
821
#define OPTION__UNITS__EV (0.03674932539796232_int64)
822
#define OPTION__UNITS__FEMTOSECOND (41.3413737896_int64)
823
#define OPTION__UNITS__FS (41.3413737896_int64)
824
#define OPTION__UNITS__GPA (0.339892967545026635270e-4_int64)
825
#define OPTION__UNITS__INVCM (4.5563353e-06_int64)
826
#define OPTION__UNITS__KCAL_MOL (0.0015936014_int64)
827
#define OPTION__UNITS__KELVIN (3.1668105e-06_int64)
828
#define OPTION__UNITS__KJOULE_MOL (0.00038087988_int64)
829
#define OPTION__UNITS__NANOMETER (18.897261328856432_int64)
830
#define OPTION__UNITS__NM (18.897261328856432_int64)
831
#define OPTION__UNITS__PICOMETER (0.018897261328856432_int64)
832
#define OPTION__UNITS__PICOSECOND (41341.3737896_int64)
833
#define OPTION__UNITS__PM (0.018897261328856432_int64)
834
#define OPTION__UNITS__PS (41341.3737896_int64)
835
#define OPTION__UNITS__RY (0.5_int64)
836
#define OPTION__UNITS__RYDBERG (0.5_int64)
837
#define OPTION__USERDEFINEDINITIALMAXWELLSTATES__ELECTRIC_FIELD (1_int64)
838
#define OPTION__USERDEFINEDINITIALMAXWELLSTATES__FILE (-10010_int64)
839
#define OPTION__USERDEFINEDINITIALMAXWELLSTATES__FORMULA (1_int64)
840
#define OPTION__USERDEFINEDINITIALMAXWELLSTATES__MAGNETIC_FIELD (2_int64)
841
#define OPTION__USERDEFINEDINITIALMAXWELLSTATES__USE_INCIDENT_WAVES (2_int64)
842
#define OPTION__USERDEFINEDMAXWELLEXTERNALCURRENT__CURRENT_PARSER (0_int64)
843
#define OPTION__USERDEFINEDMAXWELLEXTERNALCURRENT__CURRENT_TD_FUNCTION (1_int64)
844
#define OPTION__USERDEFINEDSTATES__FILE (-10010_int64)
845
#define OPTION__USERDEFINEDSTATES__FORMULA (1_int64)
846
#define OPTION__USERDEFINEDSTATES__NORMALIZE_NO (0_int64)
847
#define OPTION__USERDEFINEDSTATES__NORMALIZE_YES (1_int64)
848
#define OPTION__VDWCORRECTION__NONE (0_int64)
849
#define OPTION__VDWCORRECTION__VDW_D2 (2_int64)
850
#define OPTION__VDWCORRECTION__VDW_D3_BJ (4_int64)
851
#define OPTION__VDWCORRECTION__VDW_D3_ZERO_DAMPING (3_int64)
852
#define OPTION__VDWCORRECTION__VDW_D3M_BJ (6_int64)
853
#define OPTION__VDWCORRECTION__VDW_D3M_ZERO_DAMPING (5_int64)
854
#define OPTION__VDWCORRECTION__VDW_TS (1_int64)
855
#define OPTION__VOLUME__VOL_SLAB (10002_int64)
856
#define OPTION__VOLUME__VOL_SPHERE (10001_int64)
857
#define OPTION__WANNIER90FILES__W90_AMN (8_int64)
858
#define OPTION__WANNIER90FILES__W90_EIG (16_int64)
859
#define OPTION__WANNIER90FILES__W90_MMN (2_int64)
860
#define OPTION__WANNIER90FILES__W90_UNK (4_int64)
861
#define OPTION__WANNIER90MODE__NONE (0_int64)
862
#define OPTION__WANNIER90MODE__W90_OUTPUT (2_int64)
863
#define OPTION__WANNIER90MODE__W90_SETUP (1_int64)
864
#define OPTION__WANNIER90MODE__W90_WANNIER (3_int64)
865
#define OPTION__XCDENSITYCORRECTION__LONG_RANGE_X (1_int64)
866
#define OPTION__XCDENSITYCORRECTION__NONE (0_int64)
867
#define OPTION__XCFUNCTIONAL__FBE_X (903_int64)
868
#define OPTION__XCFUNCTIONAL__FBE_X_SL (906_int64)
869
#define OPTION__XCFUNCTIONAL__GGA_C_ACGGA (39000_int64)
870
#define OPTION__XCFUNCTIONAL__GGA_C_ACGGAP (176000_int64)
871
#define OPTION__XCFUNCTIONAL__GGA_C_AM05 (135000_int64)
872
#define OPTION__XCFUNCTIONAL__GGA_C_APBE (186000_int64)
873
#define OPTION__XCFUNCTIONAL__GGA_C_BMK (280000_int64)
874
#define OPTION__XCFUNCTIONAL__GGA_C_CCDF (313000_int64)
875
#define OPTION__XCFUNCTIONAL__GGA_C_CHACHIYO (309000_int64)
876
#define OPTION__XCFUNCTIONAL__GGA_C_CS1 (565000_int64)
877
#define OPTION__XCFUNCTIONAL__GGA_C_FT97 (88000_int64)
878
#define OPTION__XCFUNCTIONAL__GGA_C_GAM (33000_int64)
879
#define OPTION__XCFUNCTIONAL__GGA_C_GAPC (555000_int64)
880
#define OPTION__XCFUNCTIONAL__GGA_C_GAPLOC (556000_int64)
881
#define OPTION__XCFUNCTIONAL__GGA_C_HCTH_A (97000_int64)
882
#define OPTION__XCFUNCTIONAL__GGA_C_HYB_TAU_HCTH (283000_int64)
883
#define OPTION__XCFUNCTIONAL__GGA_C_LM (137000_int64)
884
#define OPTION__XCFUNCTIONAL__GGA_C_LYP (131000_int64)
885
#define OPTION__XCFUNCTIONAL__GGA_C_LYPR (624000_int64)
886
#define OPTION__XCFUNCTIONAL__GGA_C_MGGAC (712000_int64)
887
#define OPTION__XCFUNCTIONAL__GGA_C_N12 (80000_int64)
888
#define OPTION__XCFUNCTIONAL__GGA_C_N12_SX (79000_int64)
889
#define OPTION__XCFUNCTIONAL__GGA_C_OP_B88 (87000_int64)
890
#define OPTION__XCFUNCTIONAL__GGA_C_OP_G96 (85000_int64)
891
#define OPTION__XCFUNCTIONAL__GGA_C_OP_PBE (86000_int64)
892
#define OPTION__XCFUNCTIONAL__GGA_C_OP_PW91 (262000_int64)
893
#define OPTION__XCFUNCTIONAL__GGA_C_OP_XALPHA (84000_int64)
894
#define OPTION__XCFUNCTIONAL__GGA_C_OPTC (200000_int64)
895
#define OPTION__XCFUNCTIONAL__GGA_C_P86 (132000_int64)
896
#define OPTION__XCFUNCTIONAL__GGA_C_P86_FT (217000_int64)
897
#define OPTION__XCFUNCTIONAL__GGA_C_P86VWN (252000_int64)
898
#define OPTION__XCFUNCTIONAL__GGA_C_P86VWN_FT (253000_int64)
899
#define OPTION__XCFUNCTIONAL__GGA_C_PBE (130000_int64)
900
#define OPTION__XCFUNCTIONAL__GGA_C_PBE_ERF_GWS (657000_int64)
901
#define OPTION__XCFUNCTIONAL__GGA_C_PBE_GAUSSIAN (322000_int64)
902
#define OPTION__XCFUNCTIONAL__GGA_C_PBE_JRGX (138000_int64)
903
#define OPTION__XCFUNCTIONAL__GGA_C_PBE_MOL (272000_int64)
904
#define OPTION__XCFUNCTIONAL__GGA_C_PBE_SOL (133000_int64)
905
#define OPTION__XCFUNCTIONAL__GGA_C_PBE_VWN (216000_int64)
906
#define OPTION__XCFUNCTIONAL__GGA_C_PBEFE (258000_int64)
907
#define OPTION__XCFUNCTIONAL__GGA_C_PBEINT (62000_int64)
908
#define OPTION__XCFUNCTIONAL__GGA_C_PBELOC (246000_int64)
909
#define OPTION__XCFUNCTIONAL__GGA_C_PW91 (134000_int64)
910
#define OPTION__XCFUNCTIONAL__GGA_C_Q2D (47000_int64)
911
#define OPTION__XCFUNCTIONAL__GGA_C_REGTPSS (83000_int64)
912
#define OPTION__XCFUNCTIONAL__GGA_C_REVTCA (99000_int64)
913
#define OPTION__XCFUNCTIONAL__GGA_C_RGE2 (143000_int64)
914
#define OPTION__XCFUNCTIONAL__GGA_C_SCAN_E0 (553000_int64)
915
#define OPTION__XCFUNCTIONAL__GGA_C_SG4 (534000_int64)
916
#define OPTION__XCFUNCTIONAL__GGA_C_SOGGA11 (152000_int64)
917
#define OPTION__XCFUNCTIONAL__GGA_C_SOGGA11_X (159000_int64)
918
#define OPTION__XCFUNCTIONAL__GGA_C_SPBE (89000_int64)
919
#define OPTION__XCFUNCTIONAL__GGA_C_TAU_HCTH (281000_int64)
920
#define OPTION__XCFUNCTIONAL__GGA_C_TCA (100000_int64)
921
#define OPTION__XCFUNCTIONAL__GGA_C_TM_LYP (559000_int64)
922
#define OPTION__XCFUNCTIONAL__GGA_C_TM_PBE (560000_int64)
923
#define OPTION__XCFUNCTIONAL__GGA_C_W94 (561000_int64)
924
#define OPTION__XCFUNCTIONAL__GGA_C_WI (148000_int64)
925
#define OPTION__XCFUNCTIONAL__GGA_C_WI0 (153000_int64)
926
#define OPTION__XCFUNCTIONAL__GGA_C_WL (147000_int64)
927
#define OPTION__XCFUNCTIONAL__GGA_C_XPBE (136000_int64)
928
#define OPTION__XCFUNCTIONAL__GGA_C_ZPBEINT (61000_int64)
929
#define OPTION__XCFUNCTIONAL__GGA_C_ZPBESOL (63000_int64)
930
#define OPTION__XCFUNCTIONAL__GGA_C_ZVPBEINT (557000_int64)
931
#define OPTION__XCFUNCTIONAL__GGA_C_ZVPBELOC (606000_int64)
932
#define OPTION__XCFUNCTIONAL__GGA_C_ZVPBESOL (558000_int64)
933
#define OPTION__XCFUNCTIONAL__GGA_X_2D_B86 (128_int64)
934
#define OPTION__XCFUNCTIONAL__GGA_X_2D_B86_MGC (124_int64)
935
#define OPTION__XCFUNCTIONAL__GGA_X_2D_B88 (127_int64)
936
#define OPTION__XCFUNCTIONAL__GGA_X_2D_PBE (129_int64)
937
#define OPTION__XCFUNCTIONAL__GGA_X_AIRY (192_int64)
938
#define OPTION__XCFUNCTIONAL__GGA_X_AK13 (56_int64)
939
#define OPTION__XCFUNCTIONAL__GGA_X_AM05 (120_int64)
940
#define OPTION__XCFUNCTIONAL__GGA_X_APBE (184_int64)
941
#define OPTION__XCFUNCTIONAL__GGA_X_B86 (103_int64)
942
#define OPTION__XCFUNCTIONAL__GGA_X_B86_MGC (105_int64)
943
#define OPTION__XCFUNCTIONAL__GGA_X_B86_R (41_int64)
944
#define OPTION__XCFUNCTIONAL__GGA_X_B88 (106_int64)
945
#define OPTION__XCFUNCTIONAL__GGA_X_B88_6311G (179_int64)
946
#define OPTION__XCFUNCTIONAL__GGA_X_B88M (570_int64)
947
#define OPTION__XCFUNCTIONAL__GGA_X_BAYESIAN (125_int64)
948
#define OPTION__XCFUNCTIONAL__GGA_X_BCGP (38_int64)
949
#define OPTION__XCFUNCTIONAL__GGA_X_BEEFVDW (285_int64)
950
#define OPTION__XCFUNCTIONAL__GGA_X_BKL1 (338_int64)
951
#define OPTION__XCFUNCTIONAL__GGA_X_BKL2 (339_int64)
952
#define OPTION__XCFUNCTIONAL__GGA_X_BPCCAC (98_int64)
953
#define OPTION__XCFUNCTIONAL__GGA_X_C09X (158_int64)
954
#define OPTION__XCFUNCTIONAL__GGA_X_CAP (270_int64)
955
#define OPTION__XCFUNCTIONAL__GGA_X_CHACHIYO (298_int64)
956
#define OPTION__XCFUNCTIONAL__GGA_X_DK87_R1 (111_int64)
957
#define OPTION__XCFUNCTIONAL__GGA_X_DK87_R2 (112_int64)
958
#define OPTION__XCFUNCTIONAL__GGA_X_EB88 (271_int64)
959
#define OPTION__XCFUNCTIONAL__GGA_X_ECMV92 (215_int64)
960
#define OPTION__XCFUNCTIONAL__GGA_X_EV93 (35_int64)
961
#define OPTION__XCFUNCTIONAL__GGA_X_FD_LB94 (604_int64)
962
#define OPTION__XCFUNCTIONAL__GGA_X_FD_REVLB94 (605_int64)
963
#define OPTION__XCFUNCTIONAL__GGA_X_FT97_A (114_int64)
964
#define OPTION__XCFUNCTIONAL__GGA_X_FT97_B (115_int64)
965
#define OPTION__XCFUNCTIONAL__GGA_X_G96 (107_int64)
966
#define OPTION__XCFUNCTIONAL__GGA_X_GAM (32_int64)
967
#define OPTION__XCFUNCTIONAL__GGA_X_GG99 (535_int64)
968
#define OPTION__XCFUNCTIONAL__GGA_X_HCTH_A (34_int64)
969
#define OPTION__XCFUNCTIONAL__GGA_X_HJS_B88 (527_int64)
970
#define OPTION__XCFUNCTIONAL__GGA_X_HJS_B88_V2 (46_int64)
971
#define OPTION__XCFUNCTIONAL__GGA_X_HJS_B97X (528_int64)
972
#define OPTION__XCFUNCTIONAL__GGA_X_HJS_PBE (525_int64)
973
#define OPTION__XCFUNCTIONAL__GGA_X_HJS_PBE_SOL (526_int64)
974
#define OPTION__XCFUNCTIONAL__GGA_X_HTBS (191_int64)
975
#define OPTION__XCFUNCTIONAL__GGA_X_ITYH (529_int64)
976
#define OPTION__XCFUNCTIONAL__GGA_X_ITYH_OPTX (622_int64)
977
#define OPTION__XCFUNCTIONAL__GGA_X_ITYH_PBE (623_int64)
978
#define OPTION__XCFUNCTIONAL__GGA_X_KGG99 (544_int64)
979
#define OPTION__XCFUNCTIONAL__GGA_X_KT1 (145_int64)
980
#define OPTION__XCFUNCTIONAL__GGA_X_LAG (193_int64)
981
#define OPTION__XCFUNCTIONAL__GGA_X_LAMBDA_CH_N (44_int64)
982
#define OPTION__XCFUNCTIONAL__GGA_X_LAMBDA_LO_N (45_int64)
983
#define OPTION__XCFUNCTIONAL__GGA_X_LAMBDA_OC2_N (40_int64)
984
#define OPTION__XCFUNCTIONAL__GGA_X_LB (160_int64)
985
#define OPTION__XCFUNCTIONAL__GGA_X_LBM (182_int64)
986
#define OPTION__XCFUNCTIONAL__GGA_X_LG93 (113_int64)
987
#define OPTION__XCFUNCTIONAL__GGA_X_LSPBE (168_int64)
988
#define OPTION__XCFUNCTIONAL__GGA_X_LSRPBE (169_int64)
989
#define OPTION__XCFUNCTIONAL__GGA_X_LV_RPW86 (58_int64)
990
#define OPTION__XCFUNCTIONAL__GGA_X_MB88 (149_int64)
991
#define OPTION__XCFUNCTIONAL__GGA_X_MPBE (122_int64)
992
#define OPTION__XCFUNCTIONAL__GGA_X_MPW91 (119_int64)
993
#define OPTION__XCFUNCTIONAL__GGA_X_N12 (82_int64)
994
#define OPTION__XCFUNCTIONAL__GGA_X_NCAP (180_int64)
995
#define OPTION__XCFUNCTIONAL__GGA_X_NCAPR (324_int64)
996
#define OPTION__XCFUNCTIONAL__GGA_X_OL2 (183_int64)
997
#define OPTION__XCFUNCTIONAL__GGA_X_OPTB86B_VDW (171_int64)
998
#define OPTION__XCFUNCTIONAL__GGA_X_OPTB88_VDW (139_int64)
999
#define OPTION__XCFUNCTIONAL__GGA_X_OPTPBE_VDW (141_int64)
1000
#define OPTION__XCFUNCTIONAL__GGA_X_OPTX (110_int64)
1001
#define OPTION__XCFUNCTIONAL__GGA_X_PBE (101_int64)
1002
#define OPTION__XCFUNCTIONAL__GGA_X_PBE_ERF_GWS (655_int64)
1003
#define OPTION__XCFUNCTIONAL__GGA_X_PBE_GAUSSIAN (321_int64)
1004
#define OPTION__XCFUNCTIONAL__GGA_X_PBE_JSJR (126_int64)
1005
#define OPTION__XCFUNCTIONAL__GGA_X_PBE_MOD (320_int64)
1006
#define OPTION__XCFUNCTIONAL__GGA_X_PBE_MOL (49_int64)
1007
#define OPTION__XCFUNCTIONAL__GGA_X_PBE_R (102_int64)
1008
#define OPTION__XCFUNCTIONAL__GGA_X_PBE_SOL (116_int64)
1009
#define OPTION__XCFUNCTIONAL__GGA_X_PBE_TCA (59_int64)
1010
#define OPTION__XCFUNCTIONAL__GGA_X_PBEA (121_int64)
1011
#define OPTION__XCFUNCTIONAL__GGA_X_PBEFE (265_int64)
1012
#define OPTION__XCFUNCTIONAL__GGA_X_PBEINT (60_int64)
1013
#define OPTION__XCFUNCTIONAL__GGA_X_PBEK1_VDW (140_int64)
1014
#define OPTION__XCFUNCTIONAL__GGA_X_PBEPOW (539_int64)
1015
#define OPTION__XCFUNCTIONAL__GGA_X_PBETRANS (291_int64)
1016
#define OPTION__XCFUNCTIONAL__GGA_X_PW86 (108_int64)
1017
#define OPTION__XCFUNCTIONAL__GGA_X_PW91 (109_int64)
1018
#define OPTION__XCFUNCTIONAL__GGA_X_PW91_MOD (316_int64)
1019
#define OPTION__XCFUNCTIONAL__GGA_X_Q1D (734_int64)
1020
#define OPTION__XCFUNCTIONAL__GGA_X_Q2D (48_int64)
1021
#define OPTION__XCFUNCTIONAL__GGA_X_REVSSB_D (312_int64)
1022
#define OPTION__XCFUNCTIONAL__GGA_X_RGE2 (142_int64)
1023
#define OPTION__XCFUNCTIONAL__GGA_X_RPBE (117_int64)
1024
#define OPTION__XCFUNCTIONAL__GGA_X_RPW86 (144_int64)
1025
#define OPTION__XCFUNCTIONAL__GGA_X_S12G (495_int64)
1026
#define OPTION__XCFUNCTIONAL__GGA_X_SFAT (530_int64)
1027
#define OPTION__XCFUNCTIONAL__GGA_X_SFAT_PBE (601_int64)
1028
#define OPTION__XCFUNCTIONAL__GGA_X_SG4 (533_int64)
1029
#define OPTION__XCFUNCTIONAL__GGA_X_SOGGA (150_int64)
1030
#define OPTION__XCFUNCTIONAL__GGA_X_SOGGA11 (151_int64)
1031
#define OPTION__XCFUNCTIONAL__GGA_X_SSB (91_int64)
1032
#define OPTION__XCFUNCTIONAL__GGA_X_SSB_D (92_int64)
1033
#define OPTION__XCFUNCTIONAL__GGA_X_SSB_SW (90_int64)
1034
#define OPTION__XCFUNCTIONAL__GGA_X_VMT84_GE (68_int64)
1035
#define OPTION__XCFUNCTIONAL__GGA_X_VMT84_PBE (69_int64)
1036
#define OPTION__XCFUNCTIONAL__GGA_X_VMT_GE (70_int64)
1037
#define OPTION__XCFUNCTIONAL__GGA_X_VMT_PBE (71_int64)
1038
#define OPTION__XCFUNCTIONAL__GGA_X_WC (118_int64)
1039
#define OPTION__XCFUNCTIONAL__GGA_X_WPBEH (524_int64)
1040
#define OPTION__XCFUNCTIONAL__GGA_X_XPBE (123_int64)
1041
#define OPTION__XCFUNCTIONAL__GGA_XC_B97_3C (327000_int64)
1042
#define OPTION__XCFUNCTIONAL__GGA_XC_B97_D (170000_int64)
1043
#define OPTION__XCFUNCTIONAL__GGA_XC_B97_GGA1 (96000_int64)
1044
#define OPTION__XCFUNCTIONAL__GGA_XC_BEEFVDW (286000_int64)
1045
#define OPTION__XCFUNCTIONAL__GGA_XC_EDF1 (165000_int64)
1046
#define OPTION__XCFUNCTIONAL__GGA_XC_HCTH_120 (162000_int64)
1047
#define OPTION__XCFUNCTIONAL__GGA_XC_HCTH_147 (163000_int64)
1048
#define OPTION__XCFUNCTIONAL__GGA_XC_HCTH_407 (164000_int64)
1049
#define OPTION__XCFUNCTIONAL__GGA_XC_HCTH_407P (93000_int64)
1050
#define OPTION__XCFUNCTIONAL__GGA_XC_HCTH_93 (161000_int64)
1051
#define OPTION__XCFUNCTIONAL__GGA_XC_HCTH_P14 (95000_int64)
1052
#define OPTION__XCFUNCTIONAL__GGA_XC_HCTH_P76 (94000_int64)
1053
#define OPTION__XCFUNCTIONAL__GGA_XC_HLE16 (545000_int64)
1054
#define OPTION__XCFUNCTIONAL__GGA_XC_KT1 (167000_int64)
1055
#define OPTION__XCFUNCTIONAL__GGA_XC_KT2 (146000_int64)
1056
#define OPTION__XCFUNCTIONAL__GGA_XC_KT3 (587000_int64)
1057
#define OPTION__XCFUNCTIONAL__GGA_XC_MOHLYP (194000_int64)
1058
#define OPTION__XCFUNCTIONAL__GGA_XC_MOHLYP2 (195000_int64)
1059
#define OPTION__XCFUNCTIONAL__GGA_XC_MPWLYP1W (174000_int64)
1060
#define OPTION__XCFUNCTIONAL__GGA_XC_NCAP (181000_int64)
1061
#define OPTION__XCFUNCTIONAL__GGA_XC_OBLYP_D (67000_int64)
1062
#define OPTION__XCFUNCTIONAL__GGA_XC_OPBE_D (65000_int64)
1063
#define OPTION__XCFUNCTIONAL__GGA_XC_OPWLYP_D (66000_int64)
1064
#define OPTION__XCFUNCTIONAL__GGA_XC_PBE1W (173000_int64)
1065
#define OPTION__XCFUNCTIONAL__GGA_XC_PBELYP1W (175000_int64)
1066
#define OPTION__XCFUNCTIONAL__GGA_XC_TH1 (154000_int64)
1067
#define OPTION__XCFUNCTIONAL__GGA_XC_TH2 (155000_int64)
1068
#define OPTION__XCFUNCTIONAL__GGA_XC_TH3 (156000_int64)
1069
#define OPTION__XCFUNCTIONAL__GGA_XC_TH4 (157000_int64)
1070
#define OPTION__XCFUNCTIONAL__GGA_XC_TH_FC (197000_int64)
1071
#define OPTION__XCFUNCTIONAL__GGA_XC_TH_FCFO (198000_int64)
1072
#define OPTION__XCFUNCTIONAL__GGA_XC_TH_FCO (199000_int64)
1073
#define OPTION__XCFUNCTIONAL__GGA_XC_TH_FL (196000_int64)
1074
#define OPTION__XCFUNCTIONAL__GGA_XC_VV10 (255000_int64)
1075
#define OPTION__XCFUNCTIONAL__GGA_XC_XLYP (166000_int64)
1076
#define OPTION__XCFUNCTIONAL__HYB_GGA_X_CAM_S12G (646_int64)
1077
#define OPTION__XCFUNCTIONAL__HYB_GGA_X_CAM_S12H (647_int64)
1078
#define OPTION__XCFUNCTIONAL__HYB_GGA_X_N12_SX (81_int64)
1079
#define OPTION__XCFUNCTIONAL__HYB_GGA_X_PBE_ERF_GWS (656_int64)
1080
#define OPTION__XCFUNCTIONAL__HYB_GGA_X_S12H (496_int64)
1081
#define OPTION__XCFUNCTIONAL__HYB_GGA_X_SOGGA11_X (426_int64)
1082
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_APBE0 (607000_int64)
1083
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_APF (409000_int64)
1084
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B1LYP (416000_int64)
1085
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B1PW91 (417000_int64)
1086
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B1WC (412000_int64)
1087
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B3LYP (402000_int64)
1088
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B3LYP3 (394000_int64)
1089
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B3LYP5 (475000_int64)
1090
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B3LYP_MCM1 (461000_int64)
1091
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B3LYP_MCM2 (462000_int64)
1092
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B3LYPS (459000_int64)
1093
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B3P86 (403000_int64)
1094
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B3P86_NWCHEM (315000_int64)
1095
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B3PW91 (401000_int64)
1096
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B5050LYP (572000_int64)
1097
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B97 (407000_int64)
1098
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B97_1 (408000_int64)
1099
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B97_1P (266000_int64)
1100
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B97_2 (410000_int64)
1101
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B97_3 (414000_int64)
1102
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_B97_K (413000_int64)
1103
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_BHANDH (435000_int64)
1104
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_BHANDHLYP (436000_int64)
1105
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_BLYP35 (499000_int64)
1106
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_CAM_B3LYP (433000_int64)
1107
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_CAM_O3LYP (395000_int64)
1108
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_CAM_PBEH (681000_int64)
1109
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_CAM_QTP_00 (490000_int64)
1110
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_CAM_QTP_01 (482000_int64)
1111
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_CAM_QTP_02 (491000_int64)
1112
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_CAMH_B3LYP (614000_int64)
1113
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_CAMY_B3LYP (470000_int64)
1114
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_CAMY_BLYP (455000_int64)
1115
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_CAMY_PBEH (682000_int64)
1116
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_CAP0 (477000_int64)
1117
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_CASE21 (390000_int64)
1118
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_EDF2 (476000_int64)
1119
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_HAPBE (608000_int64)
1120
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_HFLYP (314000_int64)
1121
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_HJS_B88 (431000_int64)
1122
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_HJS_B97X (432000_int64)
1123
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_HJS_PBE (429000_int64)
1124
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_HJS_PBE_SOL (430000_int64)
1125
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_HPBEINT (472000_int64)
1126
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_HSE03 (427000_int64)
1127
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_HSE06 (428000_int64)
1128
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_HSE12 (479000_int64)
1129
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_HSE12S (480000_int64)
1130
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_HSE_SOL (481000_int64)
1131
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_KMLYP (485000_int64)
1132
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LB07 (589000_int64)
1133
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LC_BLYP (400000_int64)
1134
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LC_BLYP_EA (625000_int64)
1135
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LC_BLYPR (639000_int64)
1136
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LC_BOP (636000_int64)
1137
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LC_PBEOP (637000_int64)
1138
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LC_QTP (492000_int64)
1139
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LC_VV10 (469000_int64)
1140
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LC_WPBE (478000_int64)
1141
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LC_WPBE08_WHS (488000_int64)
1142
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LC_WPBE_WHS (486000_int64)
1143
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LC_WPBEH_WHS (487000_int64)
1144
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LC_WPBESOL_WHS (489000_int64)
1145
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LCY_BLYP (468000_int64)
1146
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LCY_PBE (467000_int64)
1147
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LRC_WPBE (473000_int64)
1148
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_LRC_WPBEH (465000_int64)
1149
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_MB3LYP_RC04 (437000_int64)
1150
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_MCAM_B3LYP (640000_int64)
1151
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_MPW1K (405000_int64)
1152
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_MPW1LYP (483000_int64)
1153
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_MPW1PBE (484000_int64)
1154
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_MPW1PW (418000_int64)
1155
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_MPW3LYP (419000_int64)
1156
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_MPW3PW (415000_int64)
1157
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_MPWLYP1M (453000_int64)
1158
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_MVORB_HSE06 (921000_int64)
1159
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_MVORB_PBEH (922000_int64)
1160
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_O3LYP (404000_int64)
1161
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_OPB3LYP (386000_int64)
1162
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_PBE0_13 (456000_int64)
1163
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_PBE38 (393000_int64)
1164
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_PBE50 (290000_int64)
1165
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_PBE_2X (392000_int64)
1166
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_PBE_MOL0 (273000_int64)
1167
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_PBE_MOLB0 (276000_int64)
1168
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_PBE_SOL0 (274000_int64)
1169
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_PBEB0 (275000_int64)
1170
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_PBEH (406000_int64)
1171
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_QTP17 (460000_int64)
1172
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_RCAM_B3LYP (610000_int64)
1173
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_RELPBE0 (325000_int64)
1174
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_REVB3LYP (454000_int64)
1175
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_SB98_1A (420000_int64)
1176
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_SB98_1B (421000_int64)
1177
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_SB98_1C (422000_int64)
1178
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_SB98_2A (423000_int64)
1179
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_SB98_2B (424000_int64)
1180
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_SB98_2C (425000_int64)
1181
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_TUNED_CAM_B3LYP (434000_int64)
1182
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_WB97 (463000_int64)
1183
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_WB97X (464000_int64)
1184
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_WB97X_D (471000_int64)
1185
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_WB97X_D3 (399000_int64)
1186
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_WB97X_V (466000_int64)
1187
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_WC04 (611000_int64)
1188
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_WHPBE0 (615000_int64)
1189
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_WP04 (612000_int64)
1190
#define OPTION__XCFUNCTIONAL__HYB_GGA_XC_X3LYP (411000_int64)
1191
#define OPTION__XCFUNCTIONAL__HYB_LDA_X_ERF (653_int64)
1192
#define OPTION__XCFUNCTIONAL__HYB_LDA_XC_BN05 (588000_int64)
1193
#define OPTION__XCFUNCTIONAL__HYB_LDA_XC_CAM_LDA0 (178000_int64)
1194
#define OPTION__XCFUNCTIONAL__HYB_LDA_XC_LDA0 (177000_int64)
1195
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_BMK (279_int64)
1196
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_CF22D (340_int64)
1197
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_DLDF (36_int64)
1198
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_JS18 (705_int64)
1199
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_M05 (438_int64)
1200
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_M05_2X (439_int64)
1201
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_M06 (449_int64)
1202
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_M06_2X (450_int64)
1203
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_M06_HF (444_int64)
1204
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_M06_SX (310_int64)
1205
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_M08_HX (295_int64)
1206
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_M08_SO (296_int64)
1207
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_M11 (297_int64)
1208
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_MN12_SX (248_int64)
1209
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_MN15 (268_int64)
1210
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_MS2H (224_int64)
1211
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_MVSH (474_int64)
1212
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_PJS18 (706_int64)
1213
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_REVM06 (305_int64)
1214
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_REVM11 (304_int64)
1215
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_REVSCAN0 (583_int64)
1216
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_SCAN0 (264_int64)
1217
#define OPTION__XCFUNCTIONAL__HYB_MGGA_X_TAU_HCTH (282_int64)
1218
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_B0KCIS (563000_int64)
1219
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_B86B95 (441000_int64)
1220
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_B88B95 (440000_int64)
1221
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_B94_HYB (398000_int64)
1222
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_B98 (598000_int64)
1223
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_BB1K (443000_int64)
1224
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_BR3P86 (389000_int64)
1225
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_EDMGGAH (695000_int64)
1226
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_GAS22 (658000_int64)
1227
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_LC_TMLYP (720000_int64)
1228
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_MPW1B95 (445000_int64)
1229
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_MPW1KCIS (566000_int64)
1230
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_MPWB1K (446000_int64)
1231
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_MPWKCIS1K (567000_int64)
1232
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_PBE1KCIS (568000_int64)
1233
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_PW6B95 (451000_int64)
1234
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_PW86B95 (442000_int64)
1235
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_PWB6K (452000_int64)
1236
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_R2SCAN0 (660000_int64)
1237
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_R2SCAN50 (661000_int64)
1238
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_R2SCANH (659000_int64)
1239
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_REVTPSSH (458000_int64)
1240
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_TPSS0 (396000_int64)
1241
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_TPSS1KCIS (569000_int64)
1242
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_TPSSH (457000_int64)
1243
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_WB97M_V (531000_int64)
1244
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_X1B95 (447000_int64)
1245
#define OPTION__XCFUNCTIONAL__HYB_MGGA_XC_XB1K (448000_int64)
1246
#define OPTION__XCFUNCTIONAL__KS_INVERSION (904_int64)
1247
#define OPTION__XCFUNCTIONAL__LDA_C_1D_CSC (18000_int64)
1248
#define OPTION__XCFUNCTIONAL__LDA_C_1D_LOOS (26000_int64)
1249
#define OPTION__XCFUNCTIONAL__LDA_C_2D_AMGB (15000_int64)
1250
#define OPTION__XCFUNCTIONAL__LDA_C_2D_PRM (16000_int64)
1251
#define OPTION__XCFUNCTIONAL__LDA_C_BR78 (552000_int64)
1252
#define OPTION__XCFUNCTIONAL__LDA_C_CHACHIYO (287000_int64)
1253
#define OPTION__XCFUNCTIONAL__LDA_C_CHACHIYO_MOD (307000_int64)
1254
#define OPTION__XCFUNCTIONAL__LDA_C_EPC17 (328000_int64)
1255
#define OPTION__XCFUNCTIONAL__LDA_C_EPC17_2 (329000_int64)
1256
#define OPTION__XCFUNCTIONAL__LDA_C_EPC18_1 (330000_int64)
1257
#define OPTION__XCFUNCTIONAL__LDA_C_EPC18_2 (331000_int64)
1258
#define OPTION__XCFUNCTIONAL__LDA_C_FBE (907000_int64)
1259
#define OPTION__XCFUNCTIONAL__LDA_C_FBE_SL (908000_int64)
1260
#define OPTION__XCFUNCTIONAL__LDA_C_GK72 (578000_int64)
1261
#define OPTION__XCFUNCTIONAL__LDA_C_GL (5000_int64)
1262
#define OPTION__XCFUNCTIONAL__LDA_C_GOMBAS (24000_int64)
1263
#define OPTION__XCFUNCTIONAL__LDA_C_HL (4000_int64)
1264
#define OPTION__XCFUNCTIONAL__LDA_C_KARASIEV (579000_int64)
1265
#define OPTION__XCFUNCTIONAL__LDA_C_KARASIEV_MOD (308000_int64)
1266
#define OPTION__XCFUNCTIONAL__LDA_C_LP96 (289000_int64)
1267
#define OPTION__XCFUNCTIONAL__LDA_C_MCWEENY (551000_int64)
1268
#define OPTION__XCFUNCTIONAL__LDA_C_ML1 (22000_int64)
1269
#define OPTION__XCFUNCTIONAL__LDA_C_ML2 (23000_int64)
1270
#define OPTION__XCFUNCTIONAL__LDA_C_OB_PW (14000_int64)
1271
#define OPTION__XCFUNCTIONAL__LDA_C_OB_PZ (11000_int64)
1272
#define OPTION__XCFUNCTIONAL__LDA_C_OW (574000_int64)
1273
#define OPTION__XCFUNCTIONAL__LDA_C_OW_LYP (573000_int64)
1274
#define OPTION__XCFUNCTIONAL__LDA_C_PK09 (554000_int64)
1275
#define OPTION__XCFUNCTIONAL__LDA_C_PMGB06 (590000_int64)
1276
#define OPTION__XCFUNCTIONAL__LDA_C_PW (12000_int64)
1277
#define OPTION__XCFUNCTIONAL__LDA_C_PW_ERF (654000_int64)
1278
#define OPTION__XCFUNCTIONAL__LDA_C_PW_MOD (13000_int64)
1279
#define OPTION__XCFUNCTIONAL__LDA_C_PW_RPA (25000_int64)
1280
#define OPTION__XCFUNCTIONAL__LDA_C_PZ (9000_int64)
1281
#define OPTION__XCFUNCTIONAL__LDA_C_PZ_MOD (10000_int64)
1282
#define OPTION__XCFUNCTIONAL__LDA_C_RC04 (27000_int64)
1283
#define OPTION__XCFUNCTIONAL__LDA_C_RPA (3000_int64)
1284
#define OPTION__XCFUNCTIONAL__LDA_C_RPW92 (684000_int64)
1285
#define OPTION__XCFUNCTIONAL__LDA_C_UPW92 (683000_int64)
1286
#define OPTION__XCFUNCTIONAL__LDA_C_VBH (17000_int64)
1287
#define OPTION__XCFUNCTIONAL__LDA_C_VWN (7000_int64)
1288
#define OPTION__XCFUNCTIONAL__LDA_C_VWN_1 (28000_int64)
1289
#define OPTION__XCFUNCTIONAL__LDA_C_VWN_2 (29000_int64)
1290
#define OPTION__XCFUNCTIONAL__LDA_C_VWN_3 (30000_int64)
1291
#define OPTION__XCFUNCTIONAL__LDA_C_VWN_4 (31000_int64)
1292
#define OPTION__XCFUNCTIONAL__LDA_C_VWN_RPA (8000_int64)
1293
#define OPTION__XCFUNCTIONAL__LDA_C_W20 (317000_int64)
1294
#define OPTION__XCFUNCTIONAL__LDA_C_WIGNER (2000_int64)
1295
#define OPTION__XCFUNCTIONAL__LDA_C_XALPHA (6000_int64)
1296
#define OPTION__XCFUNCTIONAL__LDA_X (1_int64)
1297
#define OPTION__XCFUNCTIONAL__LDA_X_1D_EXPONENTIAL (600_int64)
1298
#define OPTION__XCFUNCTIONAL__LDA_X_1D_SOFT (21_int64)
1299
#define OPTION__XCFUNCTIONAL__LDA_X_2D (19_int64)
1300
#define OPTION__XCFUNCTIONAL__LDA_X_ERF (546_int64)
1301
#define OPTION__XCFUNCTIONAL__LDA_X_RAE (549_int64)
1302
#define OPTION__XCFUNCTIONAL__LDA_X_REL (532_int64)
1303
#define OPTION__XCFUNCTIONAL__LDA_X_SLOC (692_int64)
1304
#define OPTION__XCFUNCTIONAL__LDA_X_YUKAWA (641_int64)
1305
#define OPTION__XCFUNCTIONAL__LDA_XC_1D_EHWLRG_1 (536000_int64)
1306
#define OPTION__XCFUNCTIONAL__LDA_XC_1D_EHWLRG_2 (537000_int64)
1307
#define OPTION__XCFUNCTIONAL__LDA_XC_1D_EHWLRG_3 (538000_int64)
1308
#define OPTION__XCFUNCTIONAL__LDA_XC_CORRKSDT (318000_int64)
1309
#define OPTION__XCFUNCTIONAL__LDA_XC_GDSMFB (577000_int64)
1310
#define OPTION__XCFUNCTIONAL__LDA_XC_KSDT (259000_int64)
1311
#define OPTION__XCFUNCTIONAL__LDA_XC_LP_A (547000_int64)
1312
#define OPTION__XCFUNCTIONAL__LDA_XC_LP_B (548000_int64)
1313
#define OPTION__XCFUNCTIONAL__LDA_XC_TETER93 (20000_int64)
1314
#define OPTION__XCFUNCTIONAL__LDA_XC_TIH (599000_int64)
1315
#define OPTION__XCFUNCTIONAL__LDA_XC_ZLP (43000_int64)
1316
#define OPTION__XCFUNCTIONAL__MGGA_C_B88 (571000_int64)
1317
#define OPTION__XCFUNCTIONAL__MGGA_C_B94 (397000_int64)
1318
#define OPTION__XCFUNCTIONAL__MGGA_C_BC95 (240000_int64)
1319
#define OPTION__XCFUNCTIONAL__MGGA_C_CC (387000_int64)
1320
#define OPTION__XCFUNCTIONAL__MGGA_C_CCALDA (388000_int64)
1321
#define OPTION__XCFUNCTIONAL__MGGA_C_CF22D (341000_int64)
1322
#define OPTION__XCFUNCTIONAL__MGGA_C_CS (72000_int64)
1323
#define OPTION__XCFUNCTIONAL__MGGA_C_DLDF (37000_int64)
1324
#define OPTION__XCFUNCTIONAL__MGGA_C_HLTAPW (699000_int64)
1325
#define OPTION__XCFUNCTIONAL__MGGA_C_KCIS (562000_int64)
1326
#define OPTION__XCFUNCTIONAL__MGGA_C_KCISK (638000_int64)
1327
#define OPTION__XCFUNCTIONAL__MGGA_C_M05 (237000_int64)
1328
#define OPTION__XCFUNCTIONAL__MGGA_C_M05_2X (238000_int64)
1329
#define OPTION__XCFUNCTIONAL__MGGA_C_M06 (235000_int64)
1330
#define OPTION__XCFUNCTIONAL__MGGA_C_M06_2X (236000_int64)
1331
#define OPTION__XCFUNCTIONAL__MGGA_C_M06_HF (234000_int64)
1332
#define OPTION__XCFUNCTIONAL__MGGA_C_M06_L (233000_int64)
1333
#define OPTION__XCFUNCTIONAL__MGGA_C_M06_SX (311000_int64)
1334
#define OPTION__XCFUNCTIONAL__MGGA_C_M08_HX (78000_int64)
1335
#define OPTION__XCFUNCTIONAL__MGGA_C_M08_SO (77000_int64)
1336
#define OPTION__XCFUNCTIONAL__MGGA_C_M11 (76000_int64)
1337
#define OPTION__XCFUNCTIONAL__MGGA_C_M11_L (75000_int64)
1338
#define OPTION__XCFUNCTIONAL__MGGA_C_MN12_L (74000_int64)
1339
#define OPTION__XCFUNCTIONAL__MGGA_C_MN12_SX (73000_int64)
1340
#define OPTION__XCFUNCTIONAL__MGGA_C_MN15 (269000_int64)
1341
#define OPTION__XCFUNCTIONAL__MGGA_C_MN15_L (261000_int64)
1342
#define OPTION__XCFUNCTIONAL__MGGA_C_NC_CS (925000_int64)
1343
#define OPTION__XCFUNCTIONAL__MGGA_C_PKZB (239000_int64)
1344
#define OPTION__XCFUNCTIONAL__MGGA_C_R2SCAN (498000_int64)
1345
#define OPTION__XCFUNCTIONAL__MGGA_C_R2SCAN01 (642000_int64)
1346
#define OPTION__XCFUNCTIONAL__MGGA_C_R2SCANL (719000_int64)
1347
#define OPTION__XCFUNCTIONAL__MGGA_C_REVM06 (306000_int64)
1348
#define OPTION__XCFUNCTIONAL__MGGA_C_REVM06_L (294000_int64)
1349
#define OPTION__XCFUNCTIONAL__MGGA_C_REVM11 (172000_int64)
1350
#define OPTION__XCFUNCTIONAL__MGGA_C_REVSCAN (582000_int64)
1351
#define OPTION__XCFUNCTIONAL__MGGA_C_REVSCAN_VV10 (585000_int64)
1352
#define OPTION__XCFUNCTIONAL__MGGA_C_REVTM (694000_int64)
1353
#define OPTION__XCFUNCTIONAL__MGGA_C_REVTPSS (241000_int64)
1354
#define OPTION__XCFUNCTIONAL__MGGA_C_RMGGAC (643000_int64)
1355
#define OPTION__XCFUNCTIONAL__MGGA_C_RPPSCAN (649000_int64)
1356
#define OPTION__XCFUNCTIONAL__MGGA_C_RREGTM (391000_int64)
1357
#define OPTION__XCFUNCTIONAL__MGGA_C_RSCAN (494000_int64)
1358
#define OPTION__XCFUNCTIONAL__MGGA_C_SCAN (267000_int64)
1359
#define OPTION__XCFUNCTIONAL__MGGA_C_SCAN_RVV10 (292000_int64)
1360
#define OPTION__XCFUNCTIONAL__MGGA_C_SCAN_VV10 (584000_int64)
1361
#define OPTION__XCFUNCTIONAL__MGGA_C_SCANL (702000_int64)
1362
#define OPTION__XCFUNCTIONAL__MGGA_C_SCANL_RVV10 (703000_int64)
1363
#define OPTION__XCFUNCTIONAL__MGGA_C_SCANL_VV10 (704000_int64)
1364
#define OPTION__XCFUNCTIONAL__MGGA_C_TM (251000_int64)
1365
#define OPTION__XCFUNCTIONAL__MGGA_C_TPSS (231000_int64)
1366
#define OPTION__XCFUNCTIONAL__MGGA_C_TPSS_GAUSSIAN (323000_int64)
1367
#define OPTION__XCFUNCTIONAL__MGGA_C_TPSSLOC (247000_int64)
1368
#define OPTION__XCFUNCTIONAL__MGGA_C_VSXC (232000_int64)
1369
#define OPTION__XCFUNCTIONAL__MGGA_X_2D_JS17 (609_int64)
1370
#define OPTION__XCFUNCTIONAL__MGGA_X_2D_PRHG07 (210_int64)
1371
#define OPTION__XCFUNCTIONAL__MGGA_X_2D_PRHG07_PRP10 (211_int64)
1372
#define OPTION__XCFUNCTIONAL__MGGA_X_B00 (284_int64)
1373
#define OPTION__XCFUNCTIONAL__MGGA_X_BJ06 (207_int64)
1374
#define OPTION__XCFUNCTIONAL__MGGA_X_BLOC (244_int64)
1375
#define OPTION__XCFUNCTIONAL__MGGA_X_BR89 (206_int64)
1376
#define OPTION__XCFUNCTIONAL__MGGA_X_BR89_1 (214_int64)
1377
#define OPTION__XCFUNCTIONAL__MGGA_X_BR89_EXPLICIT (586_int64)
1378
#define OPTION__XCFUNCTIONAL__MGGA_X_BR89_EXPLICIT_1 (602_int64)
1379
#define OPTION__XCFUNCTIONAL__MGGA_X_EDMGGA (686_int64)
1380
#define OPTION__XCFUNCTIONAL__MGGA_X_EEL (326_int64)
1381
#define OPTION__XCFUNCTIONAL__MGGA_X_FT98 (319_int64)
1382
#define OPTION__XCFUNCTIONAL__MGGA_X_GDME_0 (689_int64)
1383
#define OPTION__XCFUNCTIONAL__MGGA_X_GDME_KOS (690_int64)
1384
#define OPTION__XCFUNCTIONAL__MGGA_X_GDME_NV (687_int64)
1385
#define OPTION__XCFUNCTIONAL__MGGA_X_GDME_VT (691_int64)
1386
#define OPTION__XCFUNCTIONAL__MGGA_X_GVT4 (204_int64)
1387
#define OPTION__XCFUNCTIONAL__MGGA_X_GX (575_int64)
1388
#define OPTION__XCFUNCTIONAL__MGGA_X_HLTA (698_int64)
1389
#define OPTION__XCFUNCTIONAL__MGGA_X_JK (256_int64)
1390
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_0 (735_int64)
1391
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_1 (736_int64)
1392
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_10 (745_int64)
1393
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_11 (746_int64)
1394
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_12 (747_int64)
1395
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_13 (748_int64)
1396
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_14 (749_int64)
1397
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_15 (750_int64)
1398
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_16 (751_int64)
1399
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_17 (752_int64)
1400
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_18 (753_int64)
1401
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_19 (754_int64)
1402
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_2 (737_int64)
1403
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_20 (755_int64)
1404
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_21 (756_int64)
1405
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_22 (757_int64)
1406
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_23 (758_int64)
1407
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_24 (759_int64)
1408
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_3 (738_int64)
1409
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_4 (739_int64)
1410
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_5 (740_int64)
1411
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_6 (741_int64)
1412
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_7 (742_int64)
1413
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_8 (743_int64)
1414
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_9 (744_int64)
1415
#define OPTION__XCFUNCTIONAL__MGGA_X_KTBM_GAP (760_int64)
1416
#define OPTION__XCFUNCTIONAL__MGGA_X_LAK (342_int64)
1417
#define OPTION__XCFUNCTIONAL__MGGA_X_LTA (201_int64)
1418
#define OPTION__XCFUNCTIONAL__MGGA_X_M06_L (203_int64)
1419
#define OPTION__XCFUNCTIONAL__MGGA_X_M11_L (226_int64)
1420
#define OPTION__XCFUNCTIONAL__MGGA_X_MBEEF (249_int64)
1421
#define OPTION__XCFUNCTIONAL__MGGA_X_MBEEFVDW (250_int64)
1422
#define OPTION__XCFUNCTIONAL__MGGA_X_MBR (716_int64)
1423
#define OPTION__XCFUNCTIONAL__MGGA_X_MBRXC_BG (696_int64)
1424
#define OPTION__XCFUNCTIONAL__MGGA_X_MBRXH_BG (697_int64)
1425
#define OPTION__XCFUNCTIONAL__MGGA_X_MCML (644_int64)
1426
#define OPTION__XCFUNCTIONAL__MGGA_X_MGGAC (711_int64)
1427
#define OPTION__XCFUNCTIONAL__MGGA_X_MK00 (230_int64)
1428
#define OPTION__XCFUNCTIONAL__MGGA_X_MK00B (243_int64)
1429
#define OPTION__XCFUNCTIONAL__MGGA_X_MN12_L (227_int64)
1430
#define OPTION__XCFUNCTIONAL__MGGA_X_MN15_L (260_int64)
1431
#define OPTION__XCFUNCTIONAL__MGGA_X_MODTPSS (245_int64)
1432
#define OPTION__XCFUNCTIONAL__MGGA_X_MS0 (221_int64)
1433
#define OPTION__XCFUNCTIONAL__MGGA_X_MS1 (222_int64)
1434
#define OPTION__XCFUNCTIONAL__MGGA_X_MS2 (223_int64)
1435
#define OPTION__XCFUNCTIONAL__MGGA_X_MS2_REV (228_int64)
1436
#define OPTION__XCFUNCTIONAL__MGGA_X_MS2B (300_int64)
1437
#define OPTION__XCFUNCTIONAL__MGGA_X_MS2BS (301_int64)
1438
#define OPTION__XCFUNCTIONAL__MGGA_X_MSB86BL (765_int64)
1439
#define OPTION__XCFUNCTIONAL__MGGA_X_MSPBEL (761_int64)
1440
#define OPTION__XCFUNCTIONAL__MGGA_X_MSRPBEL (763_int64)
1441
#define OPTION__XCFUNCTIONAL__MGGA_X_MTASK (724_int64)
1442
#define OPTION__XCFUNCTIONAL__MGGA_X_MVS (257_int64)
1443
#define OPTION__XCFUNCTIONAL__MGGA_X_MVSB (302_int64)
1444
#define OPTION__XCFUNCTIONAL__MGGA_X_MVSBS (303_int64)
1445
#define OPTION__XCFUNCTIONAL__MGGA_X_NC_BR (923_int64)
1446
#define OPTION__XCFUNCTIONAL__MGGA_X_NC_BR_1 (924_int64)
1447
#define OPTION__XCFUNCTIONAL__MGGA_X_NC_BR_EXPLICIT (926_int64)
1448
#define OPTION__XCFUNCTIONAL__MGGA_X_PBE_GX (576_int64)
1449
#define OPTION__XCFUNCTIONAL__MGGA_X_PKZB (213_int64)
1450
#define OPTION__XCFUNCTIONAL__MGGA_X_R2SCAN (497_int64)
1451
#define OPTION__XCFUNCTIONAL__MGGA_X_R2SCAN01 (645_int64)
1452
#define OPTION__XCFUNCTIONAL__MGGA_X_R2SCANL (718_int64)
1453
#define OPTION__XCFUNCTIONAL__MGGA_X_R4SCAN (650_int64)
1454
#define OPTION__XCFUNCTIONAL__MGGA_X_REGTM (626_int64)
1455
#define OPTION__XCFUNCTIONAL__MGGA_X_REGTPSS (603_int64)
1456
#define OPTION__XCFUNCTIONAL__MGGA_X_REVM06_L (293_int64)
1457
#define OPTION__XCFUNCTIONAL__MGGA_X_REVSCAN (581_int64)
1458
#define OPTION__XCFUNCTIONAL__MGGA_X_REVSCANL (701_int64)
1459
#define OPTION__XCFUNCTIONAL__MGGA_X_REVTM (693_int64)
1460
#define OPTION__XCFUNCTIONAL__MGGA_X_REVTPSS (212_int64)
1461
#define OPTION__XCFUNCTIONAL__MGGA_X_RLDA (688_int64)
1462
#define OPTION__XCFUNCTIONAL__MGGA_X_RMSB86BL (766_int64)
1463
#define OPTION__XCFUNCTIONAL__MGGA_X_RMSPBEL (762_int64)
1464
#define OPTION__XCFUNCTIONAL__MGGA_X_RMSRPBEL (764_int64)
1465
#define OPTION__XCFUNCTIONAL__MGGA_X_RPP09 (209_int64)
1466
#define OPTION__XCFUNCTIONAL__MGGA_X_RPPSCAN (648_int64)
1467
#define OPTION__XCFUNCTIONAL__MGGA_X_RSCAN (493_int64)
1468
#define OPTION__XCFUNCTIONAL__MGGA_X_RTPSS (299_int64)
1469
#define OPTION__XCFUNCTIONAL__MGGA_X_SA_TPSS (542_int64)
1470
#define OPTION__XCFUNCTIONAL__MGGA_X_SCAN (263_int64)
1471
#define OPTION__XCFUNCTIONAL__MGGA_X_SCANL (700_int64)
1472
#define OPTION__XCFUNCTIONAL__MGGA_X_TASK (707_int64)
1473
#define OPTION__XCFUNCTIONAL__MGGA_X_TAU_HCTH (205_int64)
1474
#define OPTION__XCFUNCTIONAL__MGGA_X_TB09 (208_int64)
1475
#define OPTION__XCFUNCTIONAL__MGGA_X_TH (225_int64)
1476
#define OPTION__XCFUNCTIONAL__MGGA_X_TLDA (685_int64)
1477
#define OPTION__XCFUNCTIONAL__MGGA_X_TM (540_int64)
1478
#define OPTION__XCFUNCTIONAL__MGGA_X_TPSS (202_int64)
1479
#define OPTION__XCFUNCTIONAL__MGGA_X_VCML (651_int64)
1480
#define OPTION__XCFUNCTIONAL__MGGA_X_VT84 (541_int64)
1481
#define OPTION__XCFUNCTIONAL__MGGA_XC_B97M_V (254000_int64)
1482
#define OPTION__XCFUNCTIONAL__MGGA_XC_CC06 (229000_int64)
1483
#define OPTION__XCFUNCTIONAL__MGGA_XC_HLE17 (288000_int64)
1484
#define OPTION__XCFUNCTIONAL__MGGA_XC_LP90 (564000_int64)
1485
#define OPTION__XCFUNCTIONAL__MGGA_XC_OTPSS_D (64000_int64)
1486
#define OPTION__XCFUNCTIONAL__MGGA_XC_TPSSLYP1W (242000_int64)
1487
#define OPTION__XCFUNCTIONAL__MGGA_XC_VCML_RVV10 (652000_int64)
1488
#define OPTION__XCFUNCTIONAL__MGGA_XC_ZLP (42000_int64)
1489
#define OPTION__XCFUNCTIONAL__NONE (0_int64)
1490
#define OPTION__XCFUNCTIONAL__OEP_X (901_int64)
1491
#define OPTION__XCFUNCTIONAL__RDMFT_XC_M (905_int64)
1492
#define OPTION__XCFUNCTIONAL__SLATER_X (902_int64)
1493
#define OPTION__XCFUNCTIONAL__VDW_C_VDWDF (918000_int64)
1494
#define OPTION__XCFUNCTIONAL__VDW_C_VDWDF2 (919000_int64)
1495
#define OPTION__XCFUNCTIONAL__VDW_C_VDWDFCX (920000_int64)
1496
#define OPTION__XCFUNCTIONAL__XC_HALF_HARTREE (917_int64)
1497
#define OPTION__XCKERNEL__XC_FUNCTIONAL (-1_int64)
1498
#define OPTION__XCPHOTONFUNCTIONAL__NONE (0_int64)
1499
#define OPTION__XCPHOTONFUNCTIONAL__PHOTON_X_LDA (10_int64)
1500
#define OPTION__XCPHOTONFUNCTIONAL__PHOTON_X_WFN (20_int64)
1501
#define OPTION__XCPHOTONFUNCTIONAL__PHOTON_XC_LDA (11_int64)
1502
#define OPTION__XCPHOTONFUNCTIONAL__PHOTON_XC_WFN (21_int64)
1503
#define OPTION__LIBVDWXCMODE__LIBVDWXC_MODE_AUTO (1_int64)
1504
#define OPTION__LIBVDWXCMODE__LIBVDWXC_MODE_MPI (3_int64)
1505
#define OPTION__LIBVDWXCMODE__LIBVDWXC_MODE_SERIAL (2_int64)
build
src
include
options.h
Generated by
1.9.4