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auto bond feature added
[physik/posic.git]
/
pse.h
diff --git
a/pse.h
b/pse.h
index
3391d26
..
c746f2d
100644
(file)
--- a/
pse.h
+++ b/
pse.h
@@
-7,6
+7,7
@@
#include "moldyn.h"
#include "moldyn.h"
+#ifdef PSE_MASS
static double pse_mass[]={
0,
0,
static double pse_mass[]={
0,
0,
@@
-28,7
+29,9
@@
static double pse_mass[]={
0,
0,
};
0,
0,
};
+#endif
+#ifdef PSE_LC
static double pse_lc[]={
0,
0,
static double pse_lc[]={
0,
0,
@@
-50,7
+53,9
@@
static double pse_lc[]={
0,
0,
};
0,
0,
};
+#endif
+#ifdef PSE_NAME
static char *pse_name[]={
"*",
"H",
static char *pse_name[]={
"*",
"H",
@@
-72,7
+77,9
@@
static char *pse_name[]={
"Cl",
"Ar",
};
"Cl",
"Ar",
};
+#endif
+#ifdef PSE_COL
static char *pse_col[]={
"*",
"White",
static char *pse_col[]={
"*",
"White",
@@
-94,4
+101,5
@@
static char *pse_col[]={
"Cl",
"Ar",
};
"Cl",
"Ar",
};
+#endif