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![]() TODO: Calls from C/C++ are still broken because inside the MaponiA3 algo there is compensation for the fact that Fortran sends it's arrays in column-major order. This must be resolved by transposeing S_inv before it is passed to MaponiA3 and remove the compensations made there. |
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mwe | ||
Octave-tests | ||
tests | ||
.gitignore | ||
cMaponiA3_test_3x3_3.cpp | ||
det.irp.f | ||
fMaponiA3_test_3x3_3.f90 | ||
fMaponiA3_test_4x4_2.f90 | ||
Helpers.hpp | ||
Makefile | ||
QMCChem_dataset_test.f90 | ||
QMCChem_dataset_test.m | ||
SM_MaponiA3_mod.f90 | ||
SM_MaponiA3.cpp | ||
SM_MaponiA3.hpp | ||
test.dataset.dat | ||
Utils_mod.f90 |