Updated AtomVecDielectric to support atom properties like full (molecule, bonds, angles, dihedrals, special)

2021-05-28 15:14:56 -05:00
parent 454e11f7a5
commit 342c84aba4
7 changed files with 99 additions and 42 deletions
--- a/src/atom.cpp
+++ b/src/atom.cpp
@ -520,7 +520,7 @@ void Atom::peratom_create()
  add_peratom("em",&em,DOUBLE,0);
  add_peratom("epsilon",&epsilon,DOUBLE,0);
  add_peratom("curvature",&curvature,DOUBLE,0);
-  add_peratom("q_unscaled",&curvature,DOUBLE,0);
+  add_peratom("q_unscaled",&q_unscaled,DOUBLE,0);

  // end of customization section
  // --------------------------------------------------------------------