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Viewing changes to src/USER-EFF/fix_nh_eff.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/USER-EFF/fix_nh_eff.cpp
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------------------------------------------------------------------------- */
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#include "math.h"
 
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#include "stdlib.h"
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#include "fix_nh_eff.h"
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#include "atom.h"
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#include "atom_vec.h"
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  for (int i = 0; i < nlocal; i++) {
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    if (mask[i] & groupbit) {
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      if (fabs(spin[i])==1) {
 
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      if (abs(spin[i])==1) {
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        dtfm = dtf / mass[type[i]];
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        ervel[i] = dtfm * erforce[i] / mefactor;
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      }
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  for (int i = 0; i < nlocal; i++)
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    if (mask[i] & groupbit)
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      if (fabs(spin[i])==1) eradius[i] += dtv * ervel[i];
 
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      if (abs(spin[i])==1) eradius[i] += dtv * ervel[i];
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}
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/* ----------------------------------------------------------------------
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  for (int i = 0; i < nlocal; i++)
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    if (mask[i] & groupbit)
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      if (fabs(spin[i])==1) ervel[i] *= factor_eta;
 
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      if (abs(spin[i])==1) ervel[i] *= factor_eta;
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}