ergo
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Files | |
file | 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. | |
file | cht_overlapmat_distr_test.cc |
file | cht_overlapmat_test.cc |
file | 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. | |
file | grid_test.cc |
Tests the DFT grid generation. | |
file | jmat_extrapolate_test.cc |
Tests the error extrapolation scheme for the Coulomb matrix. | |
file | jmat_test.cc |
Tests the sparse Coulomb matrix construction. | |
file | kmat_nosymm_test.cc |
Tests the sparse exchange matrix construction for non-symmetric density matrices. | |
file | kmat_symm_test.cc |
file | kmat_test.cc |
Tests the sparse exchange matrix construction. | |
file | 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. | |
file | mat_performance_test.cc |
Performs some matrix-matrix multiplication operations and outputs timings. | |
file | mat_thread_test.cc |
Performs some matrix operations and outputs timings. | |
file | matmem_test.cc |
Tests matrix library memory usage. | |
file | mmul_rectangular_test.cc |
Tests and measures timings for matrix-matrix multiplication using BLAS and compares to a naive implementation, for rectangular matrices. | |
file | mmul_simple_many_test.cc |
Tests and measures timings for matrix-matrix multiplication using BLAS and compares to a naive implementation. | |
file | mmul_simple_test.cc |
Tests and measures timings for matrix-matrix multiplication using BLAS and compares to a naive implementation. | |
file | stream_test.cc |
Tests the streaming grid generator. | |
file | tmat_test.cc |
Tests the kinetic energy matrix construction. | |
file | vmat_test.cc |
Tests the potential energy matrix construction. | |
file | xcmat_nan_inf_test.cc |
Tests that the DFT XC matrix construction does not result in "nan" or "inf" values. | |
file | xcmat_sparse_test.cc |
Tests the sparse XC matrix construction. | |
file | xcmat_test.cc |
Tests the DFT XC matrix construction. | |