test Directory Reference

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_?
	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.