| commit | 068190543bb283f2e88111e8c2f7a2932d9baa17 | |
| author | Berk Hess <hess@kth.se> | |
| Wed, 3 Jun 2020 12:59:02 +0000 (3 14:59 +0200) | ||
| committer | Artem Zhmurov <zhmurov@gmail.com> | |
| Wed, 3 Jun 2020 20:32:59 +0000 (3 20:32 +0000) | ||
| tree | 1053aad78e3be14ae21ab938ef80de54a013b4ee | treesnapshot (tar.gz zip) |
| parent | 2cfb8a161918c9bb1f1e8cdc189b1e5a6e31e6ef | commitdiff |
Fix missing PBC in SHAKE
During introduction of PBC support in SHAKE, one distance calculation
was overlooked.
Also replaced doubles by reals and made variables scope local.
During introduction of PBC support in SHAKE, one distance calculation
was overlooked.
Also replaced doubles by reals and made variables scope local.
| src/gromacs/mdlib/shake.cpp | diffblobblamehistory |