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Fixing ordering of commands in integration, thanks to Jiajia Zhou.
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Olaf Lenz committed Oct 11, 2011
1 parent 8e05d75 commit 48fb34c
Showing 1 changed file with 4 additions and 3 deletions.
7 changes: 4 additions & 3 deletions src/integrate.c
Expand Up @@ -553,6 +553,10 @@ ghost_communicator(&cell_structure.collect_ghost_force_comm);
correct_vel_shake();
#endif

#ifdef ROTATION
convert_torques_propagate_omega();
#endif

//VIRTUAL_SITES update vel
#ifdef VIRTUAL_SITES
ghost_communicator(&cell_structure.update_ghost_pos_comm);
Expand All @@ -566,9 +570,6 @@ ghost_communicator(&cell_structure.collect_ghost_force_comm);
}
#endif

#ifdef ROTATION
convert_torques_propagate_omega();
#endif
#ifdef NPT
if((this_node==0) && (integ_switch == INTEG_METHOD_NPT_ISO))
nptiso.p_inst_av += nptiso.p_inst;
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