|
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 | boys_function_test.cc |
| Tests the Boys function evaluation accuracy.
|
|
file | csr_matrix_test.cc |
| Tests the CSR matrix functionality in utilities_basic/csr_matrix by e.g.
|
|
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 | gradient_test.cc |
| Tests the gradient computation.
|
|
file | grid_test.cc |
| Tests the DFT grid generation.
|
|
|
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 | many_h_atoms_test.cc |
| Tests the simple case of many well-separated H atoms with just one basis function for each atom.
|
|
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 | naive_response_test.cc |
| Tests naive implementation of linear response calculation.
|
|
file | recexp_diag_test.cc |
| Test serial recursive expansion on a diagonal matrix.
|
|
file | recexp_eigenv_test.cc |
| Test serial recursive expansion and computation of homo and lumo eigenvectors of a diagonal matrix with given eigenspectrum.
|
|
file | recexp_randsym_test.cc |
| Test serial recursive expansion on a random matrix.
|
|
file | recexp_sprandsym.cc |
| Test serial recursive expansion and computation of homo and lumo eigenvectors of a sparse matrix with a given eigenspectrum.
|
|
file | recexp_test.cc |
| Test serial recursive expansion on a random symmetric matrix or matrix from a given binary file.
|
|
file | registration.cc |
| Registration of task types and chunk types, relevant only if configuring ergo to use Chunks and Tasks.
|
|
file | registration.h [code] |
| Registration of task types and chunk types, relevant only if configuring ergo to use Chunks and Tasks.
|
|
file | simple_ort_puri_test.cc |
| Performs some simple tests of density matrix purification in orthogonal basis using artificialy generated input matrices.
|
|
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_r_u_test.cc |
| Tests the DFT XC matrix construction.
|
|
file | xcmat_sparse_test.cc |
| Tests the sparse XC matrix construction.
|
|
file | xcmat_test.cc |
| Tests the DFT XC matrix construction.
|
|