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Reimplement constant acceleration groups
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
shellfc.cpp
diff --git
a/src/gromacs/mdrun/shellfc.cpp
b/src/gromacs/mdrun/shellfc.cpp
index 2f4c2d6e935ed38f02fcdd7b38bb6952e423e928..7657596888178a4f4b6e4cb6ebaab1a9b8cd84af 100644
(file)
--- a/
src/gromacs/mdrun/shellfc.cpp
+++ b/
src/gromacs/mdrun/shellfc.cpp
@@
-852,7
+852,7
@@
static void init_adir(gmx_shellfc_t* shfc,
auto invmass = gmx::arrayRefFromArray(md.invmass, md.nr);
dt = ir->delta_t;
- /* Does NOT work with freeze groups (yet) */
+ /* Does NOT work with freeze
or acceleration
groups (yet) */
for (n = 0; n < end; n++)
{
w_dt = invmass[n] * dt;