ergo
test Directory Reference

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  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_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  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.