Refactor. Fix bug in atom initialization.

2020-08-19 09:00:35 +02:00
parent e7869286d7
commit 71ea8dbb0e
10 changed files with 108 additions and 45 deletions
--- a/util/mdBench.c
+++ b/util/mdBench.c
@@ -325,7 +325,7 @@ void init(Neighbor *neighbor, Parameter *param)
    param->dt = 0.005;
    param->nx = 32;
    param->ny = 32;
-    param->nz = 32;
+    param->nz = 64;
    param->cutforce = 2.5;
    param->temp = 1.44;
    param->nstat = 100;