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Update displace.mod

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The pressure tensor was not computed as time-averaged quantity but as instantaneous value
This commit is contained in:
Evangelos Voyiatzis
2021-03-14 12:36:46 +01:00
committed by GitHub
parent 56e3962d9c
commit f72013c5db
1 changed files with 6 additions and 16 deletions
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22
examples/ELASTIC_T/displace.mod
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@ -100,22 +100,12 @@ run ${nrun}
# Obtain new stress tensor # Obtain new stress tensor
variable tmp equal pe variable pxx1 equal f_avp[1]
variable e1 equal ${tmp} variable pyy1 equal f_avp[2]
variable tmp equal press variable pzz1 equal f_avp[3]
variable p1 equal ${tmp} variable pxy1 equal f_avp[4]
variable tmp equal pxx variable pxz1 equal f_avp[5]
variable pxx1 equal ${tmp} variable pyz1 equal f_avp[6]
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}
# Compute elastic constant from pressure tensor # Compute elastic constant from pressure tensor