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optional elment and brand type in fill cmd now
[physik/posic.git]
/
mdrun.h
diff --git
a/mdrun.h
b/mdrun.h
index
953ec0d
..
71c4d83
100644
(file)
--- a/
mdrun.h
+++ b/
mdrun.h
@@
-78,6
+78,9
@@
typedef struct s_mdrun {
int lz;
u8 lattice; // type of lattice
+ int fill_element;
+ u8 fill_brand;
+
u8 sattr; // system attributes
double temperature; // temperature
double pressure; // pressure