X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.h;h=85a4950cc513c9cde9b7dc0cb66f9d49503e3b8f;hb=ea612b88a0588b8f46fafaebf3b37fb46c83c0cf;hp=b14037219f7ddcdf5b34adf4deb173d78636510a;hpb=e25ff194682ff5fac86c60701343103e74973bed;p=physik%2Fposic.git

diff --git a/moldyn.h b/moldyn.h
index b140372..85a4950 100644
--- a/moldyn.h
+++ b/moldyn.h
@@ -133,12 +133,18 @@ typedef struct s_moldyn {
 	int efd;		/* fd for energy log */
 	unsigned int mwrite;	/* how often to log momentum */
 	int mfd;		/* fd for momentum log */
+	unsigned int pwrite;	/* how often to log pressure */
+	int pfd;		/* fd for pressure log */
+	unsigned int twrite;	/* how often to log temperature */
+	int tfd;		/* fd for temperature log */
 	unsigned int vwrite;	/* how often to visualize atom information */
 	unsigned int swrite;	/* how often to create a save file */
 	int rfd;		/* report file descriptor */
 	char rtitle[64];	/* report title */
 	char rauthor[64];	/* report author */
-	int pfd;		/* gnuplot script file descriptor */
+	int epfd;		/* energy gnuplot script file descriptor */
+	int ppfd;		/* pressure gnuplot script file descriptor */
+	int tpfd;		/* temperature gnuplot script file descriptor */
 
 	u8 status;		/* general moldyn properties */
 
@@ -201,9 +207,11 @@ typedef struct s_moldyn {
 
 #define LOG_TOTAL_ENERGY		0x01
 #define LOG_TOTAL_MOMENTUM		0x02
-#define SAVE_STEP			0x04
-#define VISUAL_STEP			0x08
-#define CREATE_REPORT			0x10
+#define LOG_PRESSURE			0x04
+#define LOG_TEMPERATURE			0x08
+#define SAVE_STEP			0x10
+#define VISUAL_STEP			0x20
+#define CREATE_REPORT			0x40
 
 #define TRUE				1
 #define FALSE				0