X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.h;h=b4f71d6be65e157a247fd7581e17cc3ed94c42f5;hb=72ce33393b80034e6407f506de88652895ffab23;hp=c01bc9f6e5e81da8cca4ca56c8206ea21e4aed81;hpb=6423f952c8c02efc4fd9198b167bbbafe5305671;p=physik%2Fposic.git

diff --git a/moldyn.h b/moldyn.h
index c01bc9f..b4f71d6 100644
--- a/moldyn.h
+++ b/moldyn.h
@@ -28,6 +28,7 @@ typedef struct s_atom {
 	t_3dvec v;		/* velocity */
 	t_3dvec f;		/* force */
 	t_3dvec virial;		/* virial */
+	double e;		/* site energy */
 	int element;		/* number of element in pse */
 	double mass;		/* atom mass */
 	u8 bnum;		/* brand number */