X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=mdrun.c;h=26fbc871708c262a19eead0b398d8773a2941902;hp=fb1cbe0233e3b62265755df993303143f4f910cc;hb=6e6d7126ea9a845f11637d8e1b8eb2b570ac4dc9;hpb=98df942a2412e6ace72ae221f2e967f24bba7108

diff --git a/mdrun.c b/mdrun.c
index fb1cbe0..26fbc87 100644
--- 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,