Add keyword hybridpair for compute_pressure only on a certain pair of a hybrid pair

2019-06-14 16:53:26 +02:00
parent daa53e3008
commit 7fab12c36f
3 changed files with 19 additions and 0 deletions
--- a/src/compute_pressure.h
+++ b/src/compute_pressure.h
@ -41,6 +41,7 @@ class ComputePressure : public Compute {
  Compute *temperature;
  char *id_temp;
  double virial[6];
+  int hybridpairflag;
  int keflag,pairflag,bondflag,angleflag,dihedralflag,improperflag;
  int fixflag,kspaceflag;