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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11776 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-04-11 14:42:32 +00:00
parent 1b6af8196f
commit d45cca6714
2 changed files with 8 additions and 8 deletions
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8
examples/comb/in.comb.Cu2O.elastic
View File

@ -55,7 +55,7 @@ unfix 2
## calculates C11, C12, C13 and C14
fix 2 all deform 1 x scale 1.0001 remap x
compute perfx all stress/atom pair
compute perfx all stress/atom NULL pair
compute fx all reduce sum &
c_perfx[1] c_perfx[2] c_perfx[3] &
c_perfx[4] c_perfx[5] c_perfx[6]
@ -66,7 +66,7 @@ run 10
## strain z, measure s_z: calculates C33
fix 2 all deform 1 z scale 1.0001 remap x
compute perfz all stress/atom pair
compute perfz all stress/atom NULL pair
compute fz all reduce sum &
c_perfz[1] c_perfz[2] c_perfz[3] &
c_perfz[4] c_perfz[5] c_perfz[6]
@ -77,7 +77,7 @@ run 10
## strain yz, measure s_yz: calculates C44
fix 2 all deform 1 yz erate 0.0001 remap x
compute perfyz all stress/atom pair
compute perfyz all stress/atom NULL pair
compute fyz all reduce sum &
c_perfyz[1] c_perfyz[2] c_perfyz[3] &
c_perfyz[4] c_perfyz[5] c_perfyz[6]
@ -88,7 +88,7 @@ run 10
## strain xy, measure s_xy: calculates C66
fix 2 all deform 1 xy erate 0.0001 remap x
compute perfxy all stress/atom pair
compute perfxy all stress/atom NULL pair
compute fxy all reduce sum &
c_perfxy[1] c_perfxy[2] c_perfxy[3] &
c_perfxy[4] c_perfxy[5] c_perfxy[6]

8
examples/comb/in.comb.Si.elastic
View File

@ -39,7 +39,7 @@ run 1
## calculates C11, C12, C13 and C14
fix 2 all deform 1 x scale 1.0001 remap x
compute perfx all stress/atom pair
compute perfx all stress/atom NULL pair
compute fx all reduce sum &
c_perfx[1] c_perfx[2] c_perfx[3] &
c_perfx[4] c_perfx[5] c_perfx[6]
@ -50,7 +50,7 @@ run 10
## strain z, measure s_z: calculates C33
fix 2 all deform 1 z scale 1.0001 remap x
compute perfz all stress/atom pair
compute perfz all stress/atom NULL pair
compute fz all reduce sum &
c_perfz[1] c_perfz[2] c_perfz[3] &
c_perfz[4] c_perfz[5] c_perfz[6]
@ -61,7 +61,7 @@ run 10
## strain yz, measure s_yz: calculates C44
fix 2 all deform 1 yz erate 0.0001 remap x
compute perfyz all stress/atom pair
compute perfyz all stress/atom NULL pair
compute fyz all reduce sum &
c_perfyz[1] c_perfyz[2] c_perfyz[3] &
c_perfyz[4] c_perfyz[5] c_perfyz[6]
@ -72,7 +72,7 @@ run 10
## strain xy, measure s_xy: calculates C66
fix 2 all deform 1 xy erate 0.0001 remap x
compute perfxy all stress/atom pair
compute perfxy all stress/atom NULL pair
compute fxy all reduce sum &
c_perfxy[1] c_perfxy[2] c_perfxy[3] &
c_perfxy[4] c_perfxy[5] c_perfxy[6]