Loading src/RIGID/fix_rigid.cpp +18 −0 Original line number Diff line number Diff line Loading @@ -680,6 +680,24 @@ void FixRigid::init() error->all(FLERR,"Rigid fix must come before NPT/NPH fix"); } // error if any non-rigid fix with post_force succeeds any fix rigid: int first_rigid = 0; while (!modify->fix[first_rigid]->rigid_flag) first_rigid++; count = 0; for (i = first_rigid + 1; i < modify->nfix; i++) { Fix *ifix = modify->fix[i]; if ( (modify->fmask[i] & POST_FORCE) && (!ifix->rigid_flag) ) { count++; if (comm->me == 0) { if (screen) fprintf(screen,"> fix %s %s\n",ifix->id,ifix->style); if (logfile) fprintf(logfile,"> fix %s %s\n",ifix->id,ifix->style); } } } if (count > 0) error->all(FLERR,"the fixes listed above must preceed all rigid-body fixes"); // timestep info dtv = update->dt; Loading src/RIGID/fix_rigid_small.cpp +18 −0 Original line number Diff line number Diff line Loading @@ -516,6 +516,24 @@ void FixRigidSmall::init() error->all(FLERR,"Rigid fix must come before NPT/NPH fix"); } // error if any non-rigid fix with post_force succeeds any fix rigid: int first_rigid = 0; while (!modify->fix[first_rigid]->rigid_flag) first_rigid++; count = 0; for (i = first_rigid + 1; i < modify->nfix; i++) { Fix *ifix = modify->fix[i]; if ( (modify->fmask[i] & POST_FORCE) && (!ifix->rigid_flag) ) { count++; if (comm->me == 0) { if (screen) fprintf(screen,"> fix %s %s\n",ifix->id,ifix->style); if (logfile) fprintf(logfile,"> fix %s %s\n",ifix->id,ifix->style); } } } if (count > 0) error->all(FLERR,"the fixes listed above must preceed all rigid-body fixes"); // timestep info dtv = update->dt; Loading Loading
src/RIGID/fix_rigid.cpp +18 −0 Original line number Diff line number Diff line Loading @@ -680,6 +680,24 @@ void FixRigid::init() error->all(FLERR,"Rigid fix must come before NPT/NPH fix"); } // error if any non-rigid fix with post_force succeeds any fix rigid: int first_rigid = 0; while (!modify->fix[first_rigid]->rigid_flag) first_rigid++; count = 0; for (i = first_rigid + 1; i < modify->nfix; i++) { Fix *ifix = modify->fix[i]; if ( (modify->fmask[i] & POST_FORCE) && (!ifix->rigid_flag) ) { count++; if (comm->me == 0) { if (screen) fprintf(screen,"> fix %s %s\n",ifix->id,ifix->style); if (logfile) fprintf(logfile,"> fix %s %s\n",ifix->id,ifix->style); } } } if (count > 0) error->all(FLERR,"the fixes listed above must preceed all rigid-body fixes"); // timestep info dtv = update->dt; Loading
src/RIGID/fix_rigid_small.cpp +18 −0 Original line number Diff line number Diff line Loading @@ -516,6 +516,24 @@ void FixRigidSmall::init() error->all(FLERR,"Rigid fix must come before NPT/NPH fix"); } // error if any non-rigid fix with post_force succeeds any fix rigid: int first_rigid = 0; while (!modify->fix[first_rigid]->rigid_flag) first_rigid++; count = 0; for (i = first_rigid + 1; i < modify->nfix; i++) { Fix *ifix = modify->fix[i]; if ( (modify->fmask[i] & POST_FORCE) && (!ifix->rigid_flag) ) { count++; if (comm->me == 0) { if (screen) fprintf(screen,"> fix %s %s\n",ifix->id,ifix->style); if (logfile) fprintf(logfile,"> fix %s %s\n",ifix->id,ifix->style); } } } if (count > 0) error->all(FLERR,"the fixes listed above must preceed all rigid-body fixes"); // timestep info dtv = update->dt; Loading
