ergo
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Directories | |
recursive_expansion_tests | |
Files | |
basicmath_test.cc | |
Tests some basic math functions such as template_blas_sqrt() template_blas_log() etc to see that they are working properly and that they deliver the expected accuracy. | |
boys_function_test.cc | |
Tests the Boys function evaluation accuracy. | |
csr_matrix_test.cc | |
Tests the CSR matrix functionality in utilities_basic/csr_matrix by e.g. | |
explicit_integral_test.cc | |
Tests the explicit computation of 2-electron integrals by moving basis functions by small distances and verifying that the computed 2-el integrals vary smoothly. | |
gradient_test.cc | |
Tests the gradient computation. | |
grid_test.cc | |
Tests the DFT grid generation. | |
jmat_extrapolate_test.cc | |
Tests the error extrapolation scheme for the Coulomb matrix. | |
jmat_test.cc | |
Tests the sparse Coulomb matrix construction. | |
kmat_nosymm_test.cc | |
Tests the sparse exchange matrix construction for non-symmetric density matrices. | |
kmat_symm_test.cc | |
kmat_test.cc | |
Tests the sparse exchange matrix construction. | |
lapack_test.cc | |
Tests some LAPACK functions such as template_lapack_???() etc to see that they are working properly and that they deliver the expected accuracy. | |
many_h_atoms_test.cc | |
Tests the simple case of many well-separated H atoms with just one basis function for each atom. | |
mat_performance_test.cc | |
Performs some matrix-matrix multiplication operations and outputs timings. | |
mat_thread_test.cc | |
Performs some matrix operations and outputs timings. | |
matmem_test.cc | |
Tests matrix library memory usage. | |
mmul_rectangular_test.cc | |
Tests and measures timings for matrix-matrix multiplication using BLAS and compares to a naive implementation, for rectangular matrices. | |
mmul_simple_many_test.cc | |
Tests and measures timings for matrix-matrix multiplication using BLAS and compares to a naive implementation. | |
mmul_simple_test.cc | |
Tests and measures timings for matrix-matrix multiplication using BLAS and compares to a naive implementation. | |
naive_response_test.cc | |
Tests naive implementation of linear response calculation. | |
registration.cc | |
Registration of task types and chunk types, relevant only if configuring ergo to use Chunks and Tasks. | |
registration.h | |
Registration of task types and chunk types, relevant only if configuring ergo to use Chunks and Tasks. | |
simple_ort_puri_test.cc | |
Performs some simple tests of density matrix purification in orthogonal basis using artificialy generated input matrices. | |
stream_test.cc | |
Tests the streaming grid generator. | |
tmat_test.cc | |
Tests the kinetic energy matrix construction. | |
vmat_test.cc | |
Tests the potential energy matrix construction. | |
xcmat_nan_inf_test.cc | |
Tests that the DFT XC matrix construction does not result in "nan" or "inf" values. | |
xcmat_r_u_test.cc | |
Tests the DFT XC matrix construction. | |
xcmat_sparse_test.cc | |
Tests the sparse XC matrix construction. | |
xcmat_test.cc | |
Tests the DFT XC matrix construction. | |