git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3590 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2009-12-21 17:24:04 +00:00
parent ba238b0992
commit 8589baf3fd
9 changed files with 769 additions and 3 deletions
--- a/src/compute.h
+++ b/src/compute.h
@ -118,6 +118,10 @@ class Compute : protected Pointers {
  double vbias[3];             // stored velocity bias for one atom
  double **vbiasall;           // stored velocity bias for all atoms
  int maxbias;                 // size of vbiasall array
+
+  int *molmap;                 // convert molecule ID to local index
+
+  int molecules_in_group(int &, int &);
 };

 }