code copied from PR shirtsgroup#349 to add 0s if coefficients in inpu…

…t file are left out
orionarcher · Oct 15, 2021 · fc939c6 · fc939c6
1 parent d709abe
commit fc939c6
Showing 1 changed file with 4 additions and 1 deletion.
diff --git a/intermol/forces/forcefunctions.py b/intermol/forces/forcefunctions.py
@@ -136,7 +136,10 @@ def create_kwds_from_entries(unitvars, paramlist, entries, force_type, offset=0)
     u = unitvars[typename]
     params = paramlist[typename]
     for i, p in enumerate(params):
-        kwds[p] = float(entries[offset+i]) * u[i]
+        if len(entries)<=(offset+i):
+            kwds[p] = float(0.0)
+        else:
+            kwds[p] = float(entries[offset+i]) * u[i]
     return kwds