| commit | 53bfa7ddb0e07743590391bc7fadae28dc1e03b0 | |
| author | Michael Shirts <michael.shirts@virginia.edu> | |
| Fri, 18 Apr 2014 03:09:01 +0000 (17 23:09 -0400) | ||
| committer | Gerrit Code Review <gerrit@gerrit.gromacs.org> | |
| Mon, 21 Apr 2014 18:17:17 +0000 (21 20:17 +0200) | ||
| tree | 7bce3d4f1e4d182874eec85f220a7d45ef2cda15 | treesnapshot (tar.gz zip) |
| parent | 6699864e1f06157a744667999f789b2e9b77769d | commitdiff |
Issue warnings for potential switch w/o defining switch regions.
If either older style switches or new potential-switch modifiers are
used, issue a warning if the PME regions is too long, resulting in
inaccurate energies. Also issue a warning if rvdw_switch is 0, which
occurs if no value is specified.
Discussion is in redmine #1463
Change-Id: I7a2c29f87ceb04712aab5076ac97f5f22f573671
If either older style switches or new potential-switch modifiers are
used, issue a warning if the PME regions is too long, resulting in
inaccurate energies. Also issue a warning if rvdw_switch is 0, which
occurs if no value is specified.
Discussion is in redmine #1463
Change-Id: I7a2c29f87ceb04712aab5076ac97f5f22f573671
| src/kernel/readir.c | diffblobblamehistory |