TREX/Sherman-Morrison
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Sherman-Morrison/.gitignore

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Added some initial data likle Makefiles and .gitignore.
2021-01-26 07:26:54 +01:00
*.o
Prepared the main Fortran infrastructure for the C++ calls. Updated the makefile.
2021-02-04 11:39:00 +01:00
*.mod
Added QMCChem test dataset with 3 updates. Renamed files, added the Fortran program QMCChem_dataset_test.f90 to start testing the QMCChem dataset. Wrote and tested Fortran code to import the test dataset.
2021-02-12 12:04:21 +01:00
.vscode
cMaponiA3_test
fMaponiA3_test
QMCChem_dataset_test
* 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.
2021-02-18 19:43:20 +01:00
Slater_*
Updates*
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