François Coppens 84fffdb7fa Prepared the example matrix of Example 8 of the paper and its ...

decomposition in the Fortran code and made a basic call to the
subroutine MYSUBROUTINE, which is bound to the C++ void function
'Sherman-Morrison();. For now compilation fails with lots of undefined
references.'

2021-02-04 13:12:47 +01:00

Octave-tests

Put helper functions in separate header file from the Sherman-Morrison algo.

2021-02-03 12:13:09 +01:00

.gitignore

Prepared the main Fortran infrastructure for the C++ calls. Updated the makefile.

2021-02-04 11:39:00 +01:00

cppmain.cpp

Prepared the example matrix of Example 8 of the paper and its

2021-02-04 13:12:47 +01:00

fmain.f90

Prepared the example matrix of Example 8 of the paper and its

2021-02-04 13:12:47 +01:00

Helpers.hpp

Update of A0_inv fixed. matMul(...) breaks link between A0_inv and Slater_inv. Fixed by creating a new pointer that points to where Slater_inv points to before it gets reassigned by matMul(...) and then copy the updated elements back to the passed array pointed to by the new pointer.

2021-02-03 14:49:42 +01:00

Makefile

Prepared the example matrix of Example 8 of the paper and its

2021-02-04 13:12:47 +01:00

SM_MaponiA3_mod.f90

Prepared the main Fortran infrastructure for the C++ calls. Updated the makefile.

2021-02-04 11:39:00 +01:00

SM_MaponiA3.cpp

Prepared the example matrix of Example 8 of the paper and its

2021-02-04 13:12:47 +01:00

SM_MaponiA3.hpp

Prepared the example matrix of Example 8 of the paper and its

2021-02-04 13:12:47 +01:00

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