From 8e58b474db332bf54c3e91684d8ac8d3f14ef11b Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Mon, 09 Jul 2012 17:15:37 +0000
Subject: [PATCH] Maybe found a bug... Lash sh was not initialized to 0 after each calculation
---
src/vertex.c | 12 +++++++++++-
1 files changed, 11 insertions(+), 1 deletions(-)
diff --git a/src/vertex.c b/src/vertex.c
index 4a6aeb9..21ad48e 100644
--- a/src/vertex.c
+++ b/src/vertex.c
@@ -23,6 +23,17 @@
for(i=0;i<N;i++) {
vlist->vtx[i]=(ts_vertex *)calloc(1,sizeof(ts_vertex));
vlist->vtx[i]->idx=i;
+
+ /* initialize Ylm for spherical hamonics DONE in sh.c */
+/* for(i=0;i<l;i++){
+ vlist->vtx[i]->Ylm[i]=(ts_double **)calloc(2*i+1,sizeof(ts_double *));
+ for(j=0;j<(2*i+1);j++){
+ clist->vtx[i]->Ylm[i][j]=(ts_double *)calloc(sizeof(ts_double));
+ }
+ }
+*/
+
+
}
vlist->n=N;
return vlist;
@@ -131,7 +142,6 @@
if(vtx->neigh!=NULL) free(vtx->neigh);
if(vtx->tristar!=NULL) free(vtx->tristar);
if(vtx->bond!=NULL) free(vtx->bond);
-
free(vtx);
return TS_SUCCESS;
}
--
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