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  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_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_sparse_test.cc
 

Tests the sparse XC matrix construction.


file  xcmat_test.cc
 

Tests the DFT XC matrix construction.