| commit | e26e468fadff8489cf69d7e8793c558181938b79 | |
| author | Paul Bauer <paul.bauer.q@gmail.com> | |
| Tue, 23 Oct 2018 10:20:00 +0000 (23 12:20 +0200) | ||
| committer | Berk Hess <hess@kth.se> | |
| Wed, 24 Oct 2018 19:07:36 +0000 (24 21:07 +0200) | ||
| tree | 6be82491a12fbf7218a0e08ac09641a8e08b9fe8 | treesnapshot (tar.gz zip) |
| parent | 21717fef493e6a1b13ed2f915415272e30cee3b5 | commitdiff |
Update QM gaussian interface
The files had not been touched due to being hidden beneath
the QMMM flag and have thus started to rot.
Updated files and changed functions to reflect current status of the
rest of the code.
Fixes #2706
Change-Id: I2ecd24f3f85f36f704bbd5ba5df3c5faa6a7d6e5
The files had not been touched due to being hidden beneath
the QMMM flag and have thus started to rot.
Updated files and changed functions to reflect current status of the
rest of the code.
Fixes #2706
Change-Id: I2ecd24f3f85f36f704bbd5ba5df3c5faa6a7d6e5
| src/gromacs/mdlib/qm_gaussian.cpp | diffblobblamehistory | |
| src/gromacs/mdlib/qm_gaussian.h | [new file with mode: 0644] | blob |
| src/gromacs/mdlib/qmmm.cpp | diffblobblamehistory |