3 Commits

Author	SHA1	Message	Date
François Coppens	3f6bca2b04	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
François Coppens	d03c9c665b	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
François Coppens	aa6895a4aa	Put helper functions in separate header file from the Sherman-Morrison algo.	2021-02-03 12:13:09 +01:00