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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms

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This commit is contained in:
Axel Kohlmeyer
2013-06-08 12:21:38 +02:00
parent 22eb9e8f5d 5e6ed7be1f
commit ea3a951b0d
3 changed files with 10 additions and 1 deletions
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8
src/USER-EFF/fix_langevin_eff.cpp
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@ -63,6 +63,14 @@ FixLangevinEff::~FixLangevinEff()
/* ---------------------------------------------------------------------- */
void FixLangevinEff::post_force(int vflag)
{
if (tallyflag) post_force_tally();
else post_force_no_tally();
}
/* ---------------------------------------------------------------------- */
void FixLangevinEff::post_force_no_tally()
{
double gamma1,gamma2,t_target;

1
src/USER-EFF/fix_langevin_eff.h
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@ -30,6 +30,7 @@ class FixLangevinEff : public FixLangevin {
~FixLangevinEff();
void end_of_step();
double compute_scalar();
void post_force(int);
private:
double *erforcelangevin;

2
src/fix_langevin.h
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@ -31,7 +31,7 @@ class FixLangevin : public Fix {
int setmask();
void init();
void setup(int);
void post_force(int);
virtual void post_force(int);
void post_force_respa(int, int, int);
virtual void end_of_step();
void reset_target(double);