port thread-safe temperature biasing from LAMMPS-ICMS

2017-05-16 18:15:13 -04:00
parent 06c151421c
commit d2810f9f83
23 changed files with 256 additions and 12 deletions
--- a/src/compute_temp_sphere.h
+++ b/src/compute_temp_sphere.h
@ -34,12 +34,13 @@ class ComputeTempSphere : public Compute {
  void compute_vector();

  void remove_bias(int, double *);
+  void remove_bias_thr(int, double *, double *);
  void restore_bias(int, double *);
+  void restore_bias_thr(int, double *, double *);

 private:
  int mode;
  double tfactor;
-  double *inertia;
  char *id_bias;
  Compute *tbias;     // ptr to additional bias compute