pair TIP4P bug fix for cutoffs >> box size

2017-01-06 09:57:27 -07:00
parent 62dea1bb63
commit f6a819580c
45 changed files with 663 additions and 416 deletions
--- a/src/USER-REAXC/fix_qeq_reax.cpp
+++ b/src/USER-REAXC/fix_qeq_reax.cpp
@ -440,13 +440,6 @@ void FixQEqReax::setup_pre_force_respa(int vflag, int ilevel)

 /* ---------------------------------------------------------------------- */

-void FixQEqReax::min_setup_pre_force(int vflag)
-{
-  setup_pre_force(vflag);
-}
-
-/* ---------------------------------------------------------------------- */
-
 void FixQEqReax::init_storage()
 {
  int NN;