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/src/thermo.c
+++ b/src/thermo.c
@@ -44,6 +44,7 @@ static double p_act;
 static double e_act;
 static int mstat;

+/* exported subroutines */
 void setupThermo(Parameter *param, int natoms)
 {
    int maxstat = param->ntimes / param->nstat + 2;