Francois Coppens
|
b7764bb229
|
Trying to fix linking against QMCkl.
|
2021-07-21 11:48:32 +02:00 |
|
François Coppens
|
090847247d
|
Prepared the main Fortran infrastructure for the C++ calls. Updated the makefile.
|
2021-02-04 11:39:00 +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 |
|
François Coppens
|
68d27b6df6
|
Problem fixed: template function definitions (implementations) need to be fully known in the header file (.hpp) and not in the implementation file (.cpp).
|
2021-02-03 11:02:15 +01:00 |
|
François Coppens
|
7d55d7db77
|
Split the program in a header file and an implementation file and included them in main. Does not compile. Get the following error: ld: /tmp/icpcnmVxvw.o: in function void showMatrix<int>(int**, unsigned int, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)'
|
2021-02-02 17:06:32 +01:00 |
|