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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.
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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.
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file | grid_test.cc |
| Tests the DFT grid generation.
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file | jmat_extrapolate_test.cc |
| Tests the error extrapolation scheme for the Coulomb matrix.
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file | jmat_test.cc |
| Tests the sparse Coulomb matrix construction.
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file | kmat_nosymm_test.cc |
| Tests the sparse exchange matrix construction for non-symmetric density matrices.
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file | kmat_symm_test.cc |
file | kmat_test.cc |
| Tests the sparse exchange matrix construction.
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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.
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file | mat_thread_test.cc |
| Performs some matrix operations and outputs timings.
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file | matmem_test.cc |
| Tests matrix library memory usage.
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file | mmul_rectangular_test.cc |
| Tests and measures timings for matrix-matrix multiplication using BLAS and compares to a naive implementation, for rectangular matrices.
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file | mmul_simple_many_test.cc |
| Tests and measures timings for matrix-matrix multiplication using BLAS and compares to a naive implementation.
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file | mmul_simple_test.cc |
| Tests and measures timings for matrix-matrix multiplication using BLAS and compares to a naive implementation.
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file | stream_test.cc |
| Tests the streaming grid generator.
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file | tmat_test.cc |
| Tests the kinetic energy matrix construction.
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file | vmat_test.cc |
| Tests the potential energy matrix construction.
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file | xcmat_sparse_test.cc |
| Tests the sparse XC matrix construction.
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file | xcmat_test.cc |
| Tests the DFT XC matrix construction.
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