feature to del atoms outside a spherical volume

[physik/posic.git] / mdrun.h

diff --git a/mdrun.h b/mdrun.h
index 102c3d2b6f3d098a216ca58758139a52a7bdeeee..b8ed70c0ace245d381cc823b05f066905893b08f 100644 (file)
--- a/mdrun.h
+++ b/mdrun.h
@@ -228,6 +228,15 @@ typedef struct s_crt_params {
        int count;
 } t_crt_params;
 
+/*
+ * extern variables
+ */
+
+// constraint relaxation technique
+extern u8 crtt;
+extern u8 *constraints;
+extern double *trafo_angle;
+
 /*
  * function prototypes
  */