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Viewing changes to src/fix_langevin.cpp

  • Committer: Package Import Robot
  • Author(s): Anton Gladky
  • Date: 2015-04-29 23:44:49 UTC
  • mfrom: (5.1.3 experimental)
  • Revision ID: package-import@ubuntu.com-20150429234449-mbhy9utku6hp6oq8
Tags: 0~20150313.gitfa668e1-1
Upload into unstable.

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src/fix_langevin.cpp
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{
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  if (narg < 7) error->all(FLERR,"Illegal fix langevin command");
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  dynamic_group_allow = 1;
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  scalar_flag = 1;
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  global_freq = 1;
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  extscalar = 1;
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  t_stop = force->numeric(FLERR,arg[4]);
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  t_period = force->numeric(FLERR,arg[5]);
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  int seed = force->inumeric(FLERR,arg[6]);
 
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  seed = force->inumeric(FLERR,arg[6]);
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  if (t_period <= 0.0) error->all(FLERR,"Fix langevin period must be > 0.0");
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  if (seed <= 0) error->all(FLERR,"Illegal fix langevin command");
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  double inertiaone;
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  for (int i = 0; i < nlocal; i++) {
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    if (mask[i] & groupbit) {
 
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    if ((mask[i] & groupbit) && (radius[i] > 0.0)) {
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      inertiaone = SINERTIA*radius[i]*radius[i]*rmass[i];
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      if (tstyle == ATOM) tsqrt = sqrt(tforce[i]);
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      gamma1 = -tendivthree*inertiaone / t_period / ftm2v;