pseudo_oct_m Module Reference

Data Types
interface	pseudo_correlation
interface	pseudo_density
interface	pseudo_detect_format
interface	pseudo_dij
interface	pseudo_end
interface	pseudo_exchange
interface	pseudo_format
interface	pseudo_grid
interface	pseudo_grid_weights
interface	pseudo_init
interface	pseudo_llocal
interface	pseudo_lmax
interface	pseudo_local_potential
interface	pseudo_mass
interface	pseudo_mesh_size
interface	pseudo_mesh_spacing
interface	pseudo_nchannels
interface	pseudo_nlcc_density
interface	pseudo_nprojectors
interface	pseudo_nprojectors_per_l
interface	pseudo_nwavefunctions
interface	pseudo_projector
interface	pseudo_projector_2j
interface	pseudo_radial_function
interface	pseudo_radial_potential
type	pseudo_t
interface	pseudo_type
interface	pseudo_valence_charge
interface	pseudo_wavefunction
interface	pseudo_wavefunction_2j

Functions/Subroutines
logical function, public	pseudo_has_nlcc (pseudo)
logical function, public	pseudo_has_density (pseudo)
logical pure function, public	pseudo_has_total_angular_momentum (pseudo)
logical function, public	pseudo_has_radial_function (pseudo, l)

Variables
integer, parameter, public	pseudo_type_ultrasoft = 30
integer, parameter, public	pseudo_type_semilocal = 31
integer, parameter, public	pseudo_type_kleinman_bylander = 32
integer, parameter, public	pseudo_type_paw = 33
integer, parameter, public	pseudo_status_success = 0
integer, parameter, public	pseudo_status_file_not_found = 455
integer, parameter, public	pseudo_status_format_not_supported = 456
integer, parameter, public	pseudo_status_unknown_format = 457
integer, parameter, public	pseudo_status_unsupported_type_ultrasoft = 458
integer, parameter, public	pseudo_status_unsupported_type_paw = 459
integer, parameter, public	pseudo_status_unsupported_type = 460
integer, parameter, public	pseudo_format_file_not_found = 773
integer, parameter, public	pseudo_format_unknown = 774
integer, parameter, public	pseudo_format_upf1 = 775
integer, parameter, public	pseudo_format_upf2 = 776
integer, parameter, public	pseudo_format_qso = 777
integer, parameter, public	pseudo_format_psml = 778
integer, parameter, public	pseudo_format_psf = 779
integer, parameter, public	pseudo_format_cpi = 780
integer, parameter, public	pseudo_format_fhi = 781
integer, parameter, public	pseudo_format_hgh = 782
integer, parameter, public	pseudo_format_psp8 = 783
integer, parameter, public	pseudo_exchange_unknown = -2
integer, parameter, public	pseudo_exchange_any = -1
integer, parameter, public	pseudo_correlation_unknown = -2
integer, parameter, public	pseudo_correlation_any = -1

Function/Subroutine Documentation

pseudo_has_nlcc()

logical function, public pseudo_oct_m::pseudo_has_nlcc

(

type(pseudo_t), intent(in)

pseudo

)

Definition at line 510 of file pseudo.F90.

pseudo_has_density()

logical function, public pseudo_oct_m::pseudo_has_density

(

type(pseudo_t), intent(in)

pseudo

)

Definition at line 528 of file pseudo.F90.

pseudo_has_total_angular_momentum()

logical pure function, public pseudo_oct_m::pseudo_has_total_angular_momentum

(

type(pseudo_t), intent(in)

pseudo

)

Definition at line 547 of file pseudo.F90.

pseudo_has_radial_function()

logical function, public pseudo_oct_m::pseudo_has_radial_function	(	type(pseudo_t), intent(in)	pseudo,
		integer, intent(in)	l
	)

Definition at line 565 of file pseudo.F90.

Variable Documentation

pseudo_type_ultrasoft

integer, parameter, public pseudo_oct_m::pseudo_type_ultrasoft = 30

Definition at line 158 of file pseudo.F90.

pseudo_type_semilocal

integer, parameter, public pseudo_oct_m::pseudo_type_semilocal = 31

Definition at line 158 of file pseudo.F90.

pseudo_type_kleinman_bylander

integer, parameter, public pseudo_oct_m::pseudo_type_kleinman_bylander = 32

Definition at line 158 of file pseudo.F90.

pseudo_type_paw

integer, parameter, public pseudo_oct_m::pseudo_type_paw = 33

Definition at line 158 of file pseudo.F90.

pseudo_status_success

integer, parameter, public pseudo_oct_m::pseudo_status_success = 0

Definition at line 164 of file pseudo.F90.

pseudo_status_file_not_found

integer, parameter, public pseudo_oct_m::pseudo_status_file_not_found = 455

Definition at line 164 of file pseudo.F90.

pseudo_status_format_not_supported

integer, parameter, public pseudo_oct_m::pseudo_status_format_not_supported = 456

Definition at line 164 of file pseudo.F90.

pseudo_status_unknown_format

integer, parameter, public pseudo_oct_m::pseudo_status_unknown_format = 457

Definition at line 164 of file pseudo.F90.

pseudo_status_unsupported_type_ultrasoft

integer, parameter, public pseudo_oct_m::pseudo_status_unsupported_type_ultrasoft = 458

Definition at line 164 of file pseudo.F90.

pseudo_status_unsupported_type_paw

integer, parameter, public pseudo_oct_m::pseudo_status_unsupported_type_paw = 459

Definition at line 164 of file pseudo.F90.

pseudo_status_unsupported_type

integer, parameter, public pseudo_oct_m::pseudo_status_unsupported_type = 460

Definition at line 164 of file pseudo.F90.

pseudo_format_file_not_found

integer, parameter, public pseudo_oct_m::pseudo_format_file_not_found = 773

Definition at line 173 of file pseudo.F90.

pseudo_format_unknown

integer, parameter, public pseudo_oct_m::pseudo_format_unknown = 774

Definition at line 173 of file pseudo.F90.

pseudo_format_upf1

integer, parameter, public pseudo_oct_m::pseudo_format_upf1 = 775

Definition at line 173 of file pseudo.F90.

pseudo_format_upf2

integer, parameter, public pseudo_oct_m::pseudo_format_upf2 = 776

Definition at line 173 of file pseudo.F90.

pseudo_format_qso

integer, parameter, public pseudo_oct_m::pseudo_format_qso = 777

Definition at line 173 of file pseudo.F90.

pseudo_format_psml

integer, parameter, public pseudo_oct_m::pseudo_format_psml = 778

Definition at line 173 of file pseudo.F90.

pseudo_format_psf

integer, parameter, public pseudo_oct_m::pseudo_format_psf = 779

Definition at line 173 of file pseudo.F90.

pseudo_format_cpi

integer, parameter, public pseudo_oct_m::pseudo_format_cpi = 780

Definition at line 173 of file pseudo.F90.

pseudo_format_fhi

integer, parameter, public pseudo_oct_m::pseudo_format_fhi = 781

Definition at line 173 of file pseudo.F90.

pseudo_format_hgh

integer, parameter, public pseudo_oct_m::pseudo_format_hgh = 782

Definition at line 173 of file pseudo.F90.

pseudo_format_psp8

integer, parameter, public pseudo_oct_m::pseudo_format_psp8 = 783

Definition at line 173 of file pseudo.F90.

pseudo_exchange_unknown

integer, parameter, public pseudo_oct_m::pseudo_exchange_unknown = -2

Definition at line 188 of file pseudo.F90.

pseudo_exchange_any

integer, parameter, public pseudo_oct_m::pseudo_exchange_any = -1

Definition at line 188 of file pseudo.F90.

pseudo_correlation_unknown

integer, parameter, public pseudo_oct_m::pseudo_correlation_unknown = -2

Definition at line 192 of file pseudo.F90.

pseudo_correlation_any

integer, parameter, public pseudo_oct_m::pseudo_correlation_any = -1

Definition at line 192 of file pseudo.F90.