3rd variant of Fortran wrapper for DFTB+ calling LAMMPS

2017-07-03 14:24:16 -06:00
parent 6fc0a94e87
commit f670dba3d0
13 changed files with 1686 additions and 4 deletions
--- a/src/modify.cpp
+++ b/src/modify.cpp
@ -996,7 +996,6 @@ int Modify::check_package(const char *package_fix_name)
  return 1;
 }

-
 /* ----------------------------------------------------------------------
   check if the group indicated by groupbit overlaps with any
   currently existing rigid fixes. return 1 in this case otherwise 0