fix gcmc units change for chemical potential

2017-03-28 12:34:46 -06:00
parent 3dfe4505dd
commit 111d350a22
15 changed files with 287 additions and 135 deletions
--- a/src/update.cpp
+++ b/src/update.cpp
@ -128,7 +128,7 @@ void Update::set_units(const char *style)

  if (strcmp(style,"lj") == 0) {
    force->boltz = 1.0;
-    force->hplanck = 0.18292026;  // using LJ parameters for argon
+    force->hplanck = 1.0;
    force->mvv2e = 1.0;
    force->ftm2v = 1.0;
    force->mv2d = 1.0;