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(parent: e86aa93) | patch
Updated grompp cut-off and PME-Switch checks
authorMark Abraham <mark.j.abraham@gmail.com>
Thu, 25 Apr 2013 14:34:23 +0000 (16:34 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Tue, 21 May 2013 16:40:01 +0000 (18:40 +0200)
commitf78f0dc83f55d588f0fbc049af667519d9cf868e
treea738751bbe3c275eb12df7442e947ff80c190481tree | snapshot
parente86aa93597dcacb2e25ace177dc8daf24c7f4f0ccommit | diff
Updated grompp cut-off and PME-Switch checks

Added a warning with PME-Switch when switching over more than 5%.
Charge-group size rlist notes/warnings now also appear when
potential modifiers are used.
Documented effect of potential-modifiers on the group scheme cut-off
treatment in mdp_opt.html.

Fixes #1179

Change-Id: Ide00caf5ae378104f99611bf197e896d1b53d7d7
share/html/online/mdp_opt.html diff | blob | history
src/kernel/readir.c diff | blob | history
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