@ -100,22 +100,12 @@ run ${nrun}
|
||||
|
||||
# Obtain new stress tensor
|
||||
|
||||
variable tmp equal pe
|
||||
variable e1 equal ${tmp}
|
||||
variable tmp equal press
|
||||
variable p1 equal ${tmp}
|
||||
variable tmp equal pxx
|
||||
variable pxx1 equal ${tmp}
|
||||
variable tmp equal pyy
|
||||
variable pyy1 equal ${tmp}
|
||||
variable tmp equal pzz
|
||||
variable pzz1 equal ${tmp}
|
||||
variable tmp equal pxy
|
||||
variable pxy1 equal ${tmp}
|
||||
variable tmp equal pxz
|
||||
variable pxz1 equal ${tmp}
|
||||
variable tmp equal pyz
|
||||
variable pyz1 equal ${tmp}
|
||||
variable pxx1 equal f_avp[1]
|
||||
variable pyy1 equal f_avp[2]
|
||||
variable pzz1 equal f_avp[3]
|
||||
variable pxy1 equal f_avp[4]
|
||||
variable pxz1 equal f_avp[5]
|
||||
variable pyz1 equal f_avp[6]
|
||||
|
||||
# Compute elastic constant from pressure tensor
|
||||
|
||||
|
||||
Reference in New Issue
Block a user