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adapted all potential to new scheme + necessary mods to main code
[physik/posic.git]
/
sic.c
diff --git
a/sic.c
b/sic.c
index
0e14bb1
..
a3c4f74
100644
(file)
--- a/
sic.c
+++ b/
sic.c
@@
-262,9
+262,11
@@
int main(int argc,char **argv) {
/* choose potential */
#ifdef ALBE
/* choose potential */
#ifdef ALBE
- set_potential(&md,MOLDYN_POTENTIAL_AM);
+ if(set_potential(&md,MOLDYN_POTENTIAL_AM)<0)
+ return -1;
#else
#else
- set_potential(&md,MOLDYN_POTENTIAL_TM);
+ if(set_potential(&md,MOLDYN_POTENTIAL_TM)<0)
+ return -1;
#endif
/* cutoff radius & bondlen */
#endif
/* cutoff radius & bondlen */
@@
-282,15
+284,17
@@
int main(int argc,char **argv) {
* potential parameters
*/
* potential parameters
*/
+#ifndef ALBE
/*
* tersoff mult potential parameters for SiC
*/
tersoff_mult_set_params(&md,SI,C);
/*
* tersoff mult potential parameters for SiC
*/
tersoff_mult_set_params(&md,SI,C);
-
+#else
/*
* albe mult potential parameters for SiC
*/
albe_mult_set_params(&md,SI,C);
/*
* albe mult potential parameters for SiC
*/
albe_mult_set_params(&md,SI,C);
+#endif
/* set (initial) dimensions of simulation volume */
#ifdef ALBE
/* set (initial) dimensions of simulation volume */
#ifdef ALBE