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[physik/posic.git] / moldyn.h

diff --git a/moldyn.h b/moldyn.h
index 0f37a35..ca40103 100644 (file)
--- a/moldyn.h
+++ b/moldyn.h
@@ -145,6 +145,7 @@ typedef struct s_moldyn {
 
        double p_ref;           /* reference pressure */
        double p;               /* actual pressure (computed by virial) */
+       double px,py,pz;        /* components of pressure */
        double p_sum;           /* sum over all p */
        double p_avg;           /* average value of p */
 
@@ -352,6 +353,12 @@ typedef struct s_vb {
 #define DIAMOND                        0x04
 #define ZINCBLENDE             0x08
 
+/*
+ * more includes
+ */
+
+#include "pse.h"
+
 /*
  *
  * function prototypes