From f1645c044d628216b6b77dd899ab0de469a59175 Mon Sep 17 00:00:00 2001 From: hackbard Date: Fri, 6 Feb 2009 09:19:07 +0100 Subject: [PATCH] fixed fill command --- mdrun.c | 9 +++++++-- 1 file changed, 7 insertions(+), 2 deletions(-) diff --git a/mdrun.c b/mdrun.c index bd70d00..c30ce5f 100644 --- a/mdrun.c +++ b/mdrun.c @@ -308,10 +308,12 @@ int mdrun_parse_config(t_mdrun *mdrun) { fp.lz=atoi(word[++i]); fp.lc=atof(word[++i]); mdrun->lc=fp.lc; + continue; } if(!strncmp(word[i],"eb",2)) { fp.fill_element=atoi(word[++i]); fp.fill_brand=atoi(word[++i]); + continue; } if(word[i][0]=='p') { i+=1; @@ -347,6 +349,7 @@ int mdrun_parse_config(t_mdrun *mdrun) { fp.p_params.d.y=atof(word[++i]); fp.p_params.d.z=atof(word[++i]); } + continue; } if(word[i][0]=='d') { switch(word[++i][0]) { @@ -387,6 +390,7 @@ int mdrun_parse_config(t_mdrun *mdrun) { default: break; } + continue; } i+=1; @@ -1255,8 +1259,9 @@ int mdrun_hook(void *ptr1,void *ptr2) { create_lattice(moldyn, fp->lattice,fp->lc, - mdrun->element1, - DEFAULT_ATOM_ATTR,0, + fp->fill_element, + DEFAULT_ATOM_ATTR, + fp->fill_brand, fp->lx,fp->ly,fp->lz, NULL, &(fp->p_params), -- 2.39.2