X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=moldyn.h;h=72ff30bdfb00ab876cce6261360b827298c77043;hp=a2223c0345472043779822c5aa80883c2665b464;hb=1d83ceb2ce2ff5150fd079f1066b7f583e38c8f4;hpb=d9e7f195bbb219ad4c2de0e5f54d023ef9e669fb

diff --git a/moldyn.h b/moldyn.h
index a2223c0..72ff30b 100644
--- a/moldyn.h
+++ b/moldyn.h
@@ -92,6 +92,7 @@ typedef struct s_moldyn {
 	double p;		/* actual pressure */
 
 	/* pressure and temperature control (velocity/volume scaling) */
+	/* (in units of tau!) */
 	unsigned char pt_scale;	/* type of p and t scaling */
 	double t_tc;		/* t berendsen control time constant */
 	double p_tc;		/* p berendsen control time constant */
@@ -111,17 +112,15 @@ typedef struct s_moldyn {
 	double energy;		/* potential energy */
 	double ekin;		/* kinetic energy */
 
-	t_visual vis;		/* visualization/log/save interface structure */
-	u8 lvstat;		/* log & vis properties */
+	char vlsdir[128];	/* visualization/log/save directory */
+	t_visual vis;		/* visualization interface structure */
+	u8 vlsprop;		/* log/vis/save properties */
 	unsigned int ewrite;	/* how often to log energy */
 	int efd;		/* fd for energy log */
 	unsigned int mwrite;	/* how often to log momentum */
 	int mfd;		/* fd for momentum log */
 	unsigned int vwrite;	/* how often to visualize atom information */
-	char vfb[64];		/* visualization file name base */
-	//void *visual;		/* pointer (hack!) */
 	unsigned int swrite;	/* how often to create a save file */
-	char sfb[64];		/* visualization file name base */
 
 	u8 status;		/* general moldyn properties */
 
@@ -359,7 +358,8 @@ int set_potential2b(t_moldyn *moldyn,pf_func2b func,void *params);
 int set_potential2b_post(t_moldyn *moldyn,pf_func2b_post func,void *params);
 int set_potential3b(t_moldyn *moldyn,pf_func3b func,void *params);
 
-int moldyn_set_log(t_moldyn *moldyn,u8 type,char *fb,int timer);
+int moldyn_set_log_dir(t_moldyn *moldyn,char *dir);
+int moldyn_set_log(t_moldyn *moldyn,u8 type,int timer);
 int moldyn_log_shutdown(t_moldyn *moldyn);
 
 int create_lattice(t_moldyn *moldyn,u8 type,double lc,int element,double mass,