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_partial.h
+++ b/src/compute_temp_partial.h
@ -35,9 +35,11 @@ class ComputeTempPartial : public Compute {

  int dof_remove(int);
  void remove_bias(int, double *);
+  void remove_bias_thr(int, double *, double *);
  void remove_bias_all();
  void reapply_bias_all();
  void restore_bias(int, double *);
+  void restore_bias_thr(int, double *, double *);
  void restore_bias_all();
  double memory_usage();