TestMode
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
- mixing_tests:
Unit test for the mixing
- optimizers:
Tests for the optimizers, using standard test functions
- weighted_kmeans:
Tests weighted kmeans algorithm, for assignment of centroids at clustered
around regions of high weight.
- csv_input:
Tests the reading of csv files in various dimensions
- composition_chebyshev:
Tests the chebyshev filtering and the related composition rule
- lalg_adv:
Tests for the advanced linear algebra routines
- isdf_serial:
Tests construction of interoperable separable density fit vectors using the
serial reference implementation.
- isdf:
Tests construction of interoperable separable density fit vectors.
- centroids_t:
Test centroids type methods