git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1272 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2008-01-02 19:24:46 +00:00
parent 428ca84042
commit b2e9f7dc10
145 changed files with 2801 additions and 2615 deletions
--- a/src/compute_pe_atom.cpp
+++ b/src/compute_pe_atom.cpp
@ -26,6 +26,8 @@

 using namespace LAMMPS_NS;

+#define INVOKED_PERATOM 4
+
 /* ---------------------------------------------------------------------- */

 ComputePEAtom::ComputePEAtom(LAMMPS *lmp, int narg, char **arg) : 
@ -74,7 +76,7 @@ void ComputePEAtom::compute_peratom()
 {
  int i;

-  invoked = 1;
+  invoked |= INVOKED_PERATOM;

  // grow local energy array if necessary