Test
Name HelmholtzVisualizeBoxes
Section Calculation Modes::Test
Type logical
Default no
If true, output the volume points for the three boxes of the Helmholtz surface correction.
- The volume points of the system box
- The inner mask for the system box. This region has the thickness of the stencil and it is used to set to zero the longitudinal or transverse field after computing the final divergence or curl (to avoid spikes)
- The surface points of the system box
Name InterpolationTestOrder
Section Calculation Modes::Test
Type integer
Default 1
This variable controls the order of the grid interpolation
used in the corresponding unit test.
Name SurfaceCorrection
Section Calculation Modes::Test
Type logical
Default no
Compute the surface correction for Helmholtz decomposition?
Name TestBatchOps
Section Calculation Modes::Test
Type flag
Default ops_axpy + ops_scal + ops_nrm2
Decides which part of the Hamiltonian is applied.
Options:
- ops_axpy:
Tests batch_axpy operation
- ops_scal:
Tests batch_scal operation
- ops_nrm2:
Tests batch_nrm2 operation
- ops_dotp_matrix:
Tests X(mesh_batch_dotp_matrix)
- ops_dotp_self:
Tests X(mesh_batch_dotp_self)
- ops_dotp_vector:
Tests X(mesh_batch_dotp_vector)
Name TestHamiltonianApply
Section Calculation Modes::Test
Type integer
Default term_all
Decides which part of the Hamiltonian is applied.
Options:
- term_all:
Apply the full Hamiltonian.
- term_kinetic:
Apply only the kinetic operator
- term_local_potential:
Apply only the local potential.
- term_non_local_potential:
Apply only the non_local potential.
Name TestMaxBlockSize
Section Calculation Modes::Test
Type integer
Default 128
Some tests can work with multiple blocksizes, in this case of
range of blocksizes will be tested. This variable sets the lower
bound of that range.
Currently this variable is only used by the derivatives test.
Name TestMinBlockSize
Section Calculation Modes::Test
Type integer
Default 1
Some tests can work with multiple blocksizes, in this case of
range of blocksizes will be tested. This variable sets the lower
bound of that range.
Currently this variable is only used by the derivatives test.
Name TestMode
Section Calculation Modes::Test
Type integer
Default hartree
Decides what kind of test should be performed.
Options:
- hartree:
Tests the Poisson solvers used to calculate the Hartree potential.
- derivatives:
Tests and benchmarks the implementation of the finite-difference operators, used to calculate derivatives.
- orthogonalization:
Tests the implementation of the orthogonalization routines.
- interpolation:
Test the interpolation routines.
- ion_interaction:
Tests the ion-ion interaction routines.
- projector:
Tests the code that applies the nonlocal part of the pseudopotentials
in case of spin-orbit coupling
- dft_u:
Tests the DFT+U part of the code for projections on the basis.
- hamiltonian_apply:
Tests the application of the Hamiltonian, or a part of it
- density_calc:
Calculation of the density.
- exp_apply:
Tests the exponential of the Hamiltonian
- boundaries:
Tests the boundaries conditions
- subspace_diag:
Tests the subspace diagonalization
- batch_ops:
Tests the batch operations
- clock:
Tests for clock
- linear_solver:
Tests the linear solvers
- cgal:
Tests for cgal interface
- dense_eigensolver:
Tests for dense eigensolvers (especially parallel ones)
- grid_interpolation:
Tests for grid interpolation and multigrid methods.
- iihash:
Tests for the integer-integer hash table.
- sihash:
Tests for the string-integer hash table.
- sphash:
Tests for the string-polymorphic hash table.
- mpiwrappers:
Tests for the MPI wrappers with large integer displacements.
- regridding:
Tests the regridding between two different grids.
- helmholtz_decomposition:
Test for the Helmholtz decomposition subroutines
- vecpot_analytical:
Tests analytically the vector potential from B field.
- current_density:
Tests the different contributions to the total electronic current density
Name TestRepetitions
Section Calculation Modes::Test
Type integer
Default 1
This variable controls the behavior of oct-test for performance
benchmarking purposes. It sets the number of times the
computational kernel of a test will be executed, in order to
provide more accurate timings.
Currently this variable is used by the hartree_test,
derivatives, and projector tests.
Name TestType
Section Calculation Modes::Test
Type integer
Default all
Decides on what type of values the test should be performed.
Options:
- real:
Test for double-precision real functions.
- complex:
- all:
Tests for double-precision real and complex functions.
Name TestVectorPotentialType
Section Calculation Modes::Test
Type integer
Default bounded
Select whether bounded or unbounded type will be used for vector potential tests
Options:
- bounded:
Analytical Vector Potential formulation is bounded by spatial gaussian
- unbounded:
Analytical Vector Potential is not bounded