biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: c0dcb14) | patch
Remove dependence on t_mdatoms from pull code
authorArtem Zhmurov <zhmurov@gmail.com>
Fri, 22 May 2020 18:15:35 +0000 (20:15 +0200)
committerArtem Zhmurov <zhmurov@gmail.com>
Sat, 23 May 2020 10:30:03 +0000 (10:30 +0000)
commit21a294115e56702a6db28930b6f78cf2b9df4839
tree5129e3f6f40a0496243289139dc359f1b1e7dd6ftree | snapshot
parentc0dcb14727294bb095f60b2179e0735dbc478ddfcommit | diff
Remove dependence on t_mdatoms from pull code

The pull code only uses masses from the t_mdatoms, which
is now passed instead of the pointer to the entire
t_mdatoms structure.
src/gromacs/awh/awh.cpp diff | blob | history
src/gromacs/awh/awh.h diff | blob | history
src/gromacs/gmxpreprocess/readpull.cpp diff | blob | history
src/gromacs/mdlib/constr.cpp diff | blob | history
src/gromacs/mdlib/sim_util.cpp diff | blob | history
src/gromacs/mdrun/md.cpp diff | blob | history
src/gromacs/pulling/pull.cpp diff | blob | history
src/gromacs/pulling/pull.h diff | blob | history
src/gromacs/pulling/pullutil.cpp diff | blob | history
Local GROMACS mirror with custom stuff