From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Sun, 31 Aug 2008 15:52:14 +0000 (+0200)
Subject: new pse handling
X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=21a29b60a222f81c311d0a3b85ccafa92c8b1279;p=physik%2Fposic.git

new pse handling
---

diff --git a/mdrun.c b/mdrun.c
index 5899901..dd8679e 100644
--- a/mdrun.c
+++ b/mdrun.c
@@ -17,6 +17,11 @@
 #include "potentials/tersoff.h"
 #endif
 
+/* pse */
+#define PSE_MASS
+#include "pse.h"
+#undef PSE_MASS
+
 #define ME	"[mdrun]"
 
 /*
diff --git a/pse.h b/pse.h
index 3391d26..c746f2d 100644
--- a/pse.h
+++ b/pse.h
@@ -7,6 +7,7 @@
 
 #include "moldyn.h"
 
+#ifdef PSE_MASS
 static double pse_mass[]={
 	0,
 	0,
@@ -28,7 +29,9 @@ static double pse_mass[]={
 	0,
 	0,
 };
+#endif
 
+#ifdef PSE_LC
 static double pse_lc[]={
 	0,
 	0,
@@ -50,7 +53,9 @@ static double pse_lc[]={
 	0,
 	0,
 };
+#endif
 
+#ifdef PSE_NAME
 static char *pse_name[]={
 	"*",
 	"H",
@@ -72,7 +77,9 @@ static char *pse_name[]={
 	"Cl",
 	"Ar",
 };
+#endif
 
+#ifdef PSE_COL
 static char *pse_col[]={
 	"*",
 	"White",
@@ -94,4 +101,5 @@ static char *pse_col[]={
 	"Cl",
 	"Ar",
 };
+#endif