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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1651 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-03-20 14:53:21 +00:00
parent 848aece2b4
commit ebe2ee9bac
28 changed files with 833 additions and 99 deletions
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10
src/compute_temp_partial.h
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@ -25,13 +25,23 @@ class ComputeTempPartial : public Compute {
void init();
double compute_scalar();
void compute_vector();
void remove_bias(int, double *);
void remove_bias_all();
void restore_bias(double *);
void restore_bias_all();
double memory_usage();
private:
int xflag,yflag,zflag;
int fix_dof;
double tfactor;
double vbias[3]; // stored velocity bias for one atom
double **vbiasall; // stored velocity bias for all atoms
int maxbias; // size of vbiasall array
Compute *tbias; // ptr to additional bias compute
void recount();
};