Add first working version of EAM

Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-10-26 13:55:14 +02:00
parent 7db14b2ffe
commit 70cc6aeb19
5 changed files with 22 additions and 28 deletions
--- a/src/main.c
+++ b/src/main.c
@@ -84,7 +84,7 @@ double setup(
    param->zprd = param->nz * param->lattice;

    S = getTimeStamp();
-    if(param->force_field == FF_EAM) { initEam(eam, param->input_file, param->ntypes); }
+    if(param->force_field == FF_EAM) { initEam(eam, param); }
    initAtom(atom);
    initNeighbor(neighbor, param);
    initPbc();