| commit | 6b3b74747baf10c65a5e548ed8ef13b9f5425375 | |
| author | Berk Hess <hess@kth.se> | |
| Fri, 9 Dec 2016 10:19:26 +0000 (9 11:19 +0100) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Fri, 20 Jan 2017 14:46:15 +0000 (20 15:46 +0100) | ||
| tree | 0b3ed9ecf8c86bd6be3b253bd3ce57cacc91a35c | treesnapshot (tar.gz zip) |
| parent | 602eadf8a39dbfe2c2f52fd983ab0b2be271320d | commitdiff |
Disallow overwriting of dihedral type 9
It is no longer allowed to repeat blocks of parameter of multiple
lines for dihedrals of type 9. It is also no longer allowed to
override parameters or dihedrals of type 9. Both are too complex
to properly check. It is still allowed to repeat parameters blocks
consisting of a single line.
Repeating a block with the same parameters would lead to incorrect
dihedral potentials and forces.
Fixed bug in arrayref.h interfaces.
Fixes #2077.
Change-Id: I802c6714a9700744df4e6b5ea96e41aa82793388
It is no longer allowed to repeat blocks of parameter of multiple
lines for dihedrals of type 9. It is also no longer allowed to
override parameters or dihedrals of type 9. Both are too complex
to properly check. It is still allowed to repeat parameters blocks
consisting of a single line.
Repeating a block with the same parameters would lead to incorrect
dihedral potentials and forces.
Fixed bug in arrayref.h interfaces.
Fixes #2077.
Change-Id: I802c6714a9700744df4e6b5ea96e41aa82793388
| src/gromacs/gmxpreprocess/toppush.cpp | diffblobblamehistory | |
| src/gromacs/utility/arrayref.h | diffblobblamehistory |