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restore heuristics for checking against integrators that broke after PR #499 was merged

This commit is contained in:
Axel Kohlmeyer 2017-06-15 15:16:50 -04:00
parent 9aa450b832
commit 8728a8ddae
1 changed files with 2 additions and 2 deletions
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4
src/USER-DPD/fix_shardlow.cpp
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@ -184,12 +184,12 @@ void FixShardlow::setup(int vflag)
bool fixShardlow = false; bool fixShardlow = false;
for (int i = 0; i < modify->nfix; i++) for (int i = 0; i < modify->nfix; i++)
if (strcmp(modify->fix[i]->style,"nvt") == 0 || strcmp(modify->fix[i]->style,"npt") == 0) if (strncmp(modify->fix[i]->style,"nvt",3) == 0 || strncmp(modify->fix[i]->style,"npt",3) == 0)
error->all(FLERR,"Cannot use constant temperature integration routines with DPD."); error->all(FLERR,"Cannot use constant temperature integration routines with DPD.");
for (int i = 0; i < modify->nfix; i++){ for (int i = 0; i < modify->nfix; i++){
if (strcmp(modify->fix[i]->style,"shardlow") == 0) fixShardlow = true; if (strcmp(modify->fix[i]->style,"shardlow") == 0) fixShardlow = true;
if (strcmp(modify->fix[i]->style,"nve") == 0 || (strcmp(modify->fix[i]->style,"nph") == 0)){ if (strncmp(modify->fix[i]->style,"nve",3) == 0 || (strncmp(modify->fix[i]->style,"nph",3) == 0)){
if(fixShardlow) break; if(fixShardlow) break;
else error->all(FLERR,"The deterministic integrator must follow fix shardlow in the input file."); else error->all(FLERR,"The deterministic integrator must follow fix shardlow in the input file.");
} }