Merge branch 'leadoff'

[physik/posic.git] / mdrun.c

diff --git a/mdrun.c b/mdrun.c
index fb1cbe0..26fbc87 100644 (file)
--- a/mdrun.c
+++ b/mdrun.c
@@ -11,6 +11,7 @@
 #include "potentials/harmonic_oscillator.h"
 #include "potentials/lennard_jones.h"
 #include "potentials/albe.h"
+#include "potentials/albe_orig.h"
 #ifdef TERSOFF_ORIG
 #include "potentials/tersoff_orig.h"
 #else
@@ -234,6 +235,8 @@ int mdrun_parse_config(t_mdrun *mdrun) {
                if(!strncmp(word[0],"potential",9)) {
                        if(!strncmp(word[1],"albe",4))
                                mdrun->potential=MOLDYN_POTENTIAL_AM;
+                       if(!strncmp(word[1],"albe_o",6))
+                               mdrun->potential=MOLDYN_POTENTIAL_AO;
                        if(!strncmp(word[1],"tersoff",7))
                                mdrun->potential=MOLDYN_POTENTIAL_TM;
                        if(!strncmp(word[1],"ho",2))
@@ -1653,6 +1656,11 @@ int main(int argc,char **argv) {
                                             mdrun.element1,
                                             mdrun.element2);
                        break;
+               case MOLDYN_POTENTIAL_AO:
+                       albe_orig_mult_set_params(&moldyn,
+                                                 mdrun.element1,
+                                                 mdrun.element2);
+                       break;
                case MOLDYN_POTENTIAL_TM:
                        tersoff_mult_set_params(&moldyn,
                                                mdrun.element1,