| commit | f7e76b5e296e23aa8de0103140811473b5515013 | |
| author | Erik Lindahl <erik@kth.se> | |
| Tue, 7 Jul 2015 20:50:41 +0000 (7 22:50 +0200) | ||
| committer | Erik Lindahl <erik@kth.se> | |
| Tue, 7 Jul 2015 22:45:55 +0000 (8 00:45 +0200) | ||
| tree | 33cc3c3ebad7e87d14ed30ce8e53d52c2a7c0091 | treesnapshot (tar.gz zip) |
| parent | d56c6f64ef2ba1ec31ec495c5204adbad24ab9ee | commitdiff |
Move QMMM source to C++
Tested by enabling the four different QM/MM interfaces,
but not linking to the actual programs since those calls
are still unaltered.
Change-Id: I86163a0db56003687e6226a78169141af98940b7
Tested by enabling the four different QM/MM interfaces,
but not linking to the actual programs since those calls
are still unaltered.
Change-Id: I86163a0db56003687e6226a78169141af98940b7
| src/gromacs/mdlib/qm_gamess.cpp | [moved from src/gromacs/mdlib/qm_gamess.c with 95% similarity] | diffblobblamehistory |
| src/gromacs/mdlib/qm_gaussian.cpp | [moved from src/gromacs/mdlib/qm_gaussian.c with 97% similarity] | diffblobblamehistory |
| src/gromacs/mdlib/qm_mopac.cpp | [moved from src/gromacs/mdlib/qm_mopac.c with 91% similarity] | diffblobblamehistory |
| src/gromacs/mdlib/qm_orca.cpp | [moved from src/gromacs/mdlib/qm_orca.c with 98% similarity] | diffblobblamehistory |
| src/gromacs/mdlib/qmmm.cpp | [moved from src/gromacs/mdlib/qmmm.c with 95% similarity] | diffblobblamehistory |