projects
/
physik
/
posic.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
added 2b bond check for tersoff
[physik/posic.git]
/
moldyn.c
diff --git
a/moldyn.c
b/moldyn.c
index
a4fef49
..
dd8a527
100644
(file)
--- a/
moldyn.c
+++ b/
moldyn.c
@@
-220,7
+220,7
@@
int set_potential(t_moldyn *moldyn,u8 type) {
moldyn->func3b_k1=tersoff_mult_3bp_k1;
moldyn->func3b_j2=tersoff_mult_3bp_j2;
moldyn->func3b_k2=tersoff_mult_3bp_k2;
moldyn->func3b_k1=tersoff_mult_3bp_k1;
moldyn->func3b_j2=tersoff_mult_3bp_j2;
moldyn->func3b_k2=tersoff_mult_3bp_k2;
- // missing: check 2b bond func
+ moldyn->check_2b_bond=tersoff_mult_check_2b_bond;
break;
case MOLDYN_POTENTIAL_AM:
moldyn->func3b_j1=albe_mult_3bp_j1;
break;
case MOLDYN_POTENTIAL_AM:
moldyn->func3b_j1=albe_mult_3bp_j1;