François 48c27eb47e * Modified Maponi algo 3 so that it can be used with a number of updates ... that is smaller than the size of the Slater-matrix * Removed the Slater-matrix as an argument, since it is not used in the algo. * Added a manual 4x4 example to debug MaponiA3 to work with a number of updates that is smaller than the size of the Slater-matrix * Added a new Octave script to quickly check if the computes inverse is correct.		2021-02-22 15:34:34 +01:00
mwe	The Fortran interface to C++ fuction MaponiA3() works but the mechanism of passing the 2D arrays from Fortran to C++ must be improved. Now the passed 'linear' 2D arrays are copied and reshaped into usable 2D arrays. This needs to be replaced with some suitable casting mechanism.	2021-02-06 18:59:07 +01:00
Octave-tests	* Modified Maponi algo 3 so that it can be used with a number of updates	2021-02-22 15:34:34 +01:00
tests	Add test infrastructure for datasets	2021-02-16 10:49:15 +01:00
.gitignore	* Modified Maponi algo 3 so that it can be used with a number of updates	2021-02-22 15:34:34 +01:00
cMaponiA3_test.cpp	* Modified Maponi algo 3 so that it can be used with a number of updates	2021-02-22 15:34:34 +01:00
det.irp.f	Added some test output in the Fortran prgram to load into Octave for quick checking.	2021-02-12 17:48:49 +01:00
fMaponiA3_test.f90	* Modified Maponi algo 3 so that it can be used with a number of updates	2021-02-22 15:34:34 +01:00
fMaponiA3_test.f90.org	* Modified Maponi algo 3 so that it can be used with a number of updates	2021-02-22 15:34:34 +01:00
Helpers.hpp	Add test infrastructure for datasets	2021-02-16 10:49:15 +01:00
Makefile	* Modified Maponi algo 3 so that it can be used with a number of updates	2021-02-22 15:34:34 +01:00
QMCChem_dataset_test.f90	* Modified Maponi algo 3 so that it can be used with a number of updates	2021-02-22 15:34:34 +01:00
QMCChem_dataset_test.m	* Modified Maponi algo 3 so that it can be used with a number of updates	2021-02-22 15:34:34 +01:00
SM_MaponiA3_mod.f90	* Modified Maponi algo 3 so that it can be used with a number of updates	2021-02-22 15:34:34 +01:00
SM_MaponiA3.cpp	* Modified Maponi algo 3 so that it can be used with a number of updates	2021-02-22 15:34:34 +01:00
SM_MaponiA3.hpp	* Modified Maponi algo 3 so that it can be used with a number of updates	2021-02-22 15:34:34 +01:00
test.dataset.dat	Added some test output in the Fortran prgram to load into Octave for quick checking.	2021-02-12 17:48:49 +01:00
Utils_mod.f90	Put importing the dataset into a module.	2021-02-12 19:31:31 +01:00