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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9345 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-01-31 14:32:04 +00:00
parent e6164d65f2
commit 21590469d0
2 changed files with 6 additions and 6 deletions
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6
doc/Section_howto.html
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@ -1996,9 +1996,9 @@ variable pyz equal pyz
fix SS all ave/correlate $s $p $d & fix SS all ave/correlate $s $p $d &
v_pxy v_pxz v_pyz type auto file S0St.dat ave running v_pxy v_pxz v_pyz type auto file S0St.dat ave running
variable scale equal ${convert}/(${kB}*$T)*$V*$s*${dt} variable scale equal ${convert}/(${kB}*$T)*$V*$s*${dt}
variable v11 equal trap(f_SS[3/</B>)*${scale} variable v11 equal trap(f_SS[3])*${scale}
variable v22 equal trap(f_SS[4/</B>)*${scale} variable v22 equal trap(f_SS[4])*${scale}
variable v33 equal trap(f_SS[5/</B>)*${scale} variable v33 equal trap(f_SS[5])*${scale}
thermo_style custom step temp press v_pxy v_pxz v_pyz v_v11 v_v22 v_v33 thermo_style custom step temp press v_pxy v_pxz v_pyz v_v11 v_v22 v_v33
run 100000 run 100000
variable v equal (v_v11+v_v22+v_v33)/3.0 variable v equal (v_v11+v_v22+v_v33)/3.0

6
doc/Section_howto.txt
View File

@ -1983,9 +1983,9 @@ variable pyz equal pyz
fix SS all ave/correlate $s $p $d & fix SS all ave/correlate $s $p $d &
v_pxy v_pxz v_pyz type auto file S0St.dat ave running v_pxy v_pxz v_pyz type auto file S0St.dat ave running
variable scale equal $\{convert\}/($\{kB\}*$T)*$V*$s*$\{dt\} variable scale equal $\{convert\}/($\{kB\}*$T)*$V*$s*$\{dt\}
variable v11 equal trap(f_SS\[3/])*$\{scale\} variable v11 equal trap(f_SS\[3\])*$\{scale\}
variable v22 equal trap(f_SS\[4/])*$\{scale\} variable v22 equal trap(f_SS\[4\])*$\{scale\}
variable v33 equal trap(f_SS\[5/])*$\{scale\} variable v33 equal trap(f_SS\[5\])*$\{scale\}
thermo_style custom step temp press v_pxy v_pxz v_pyz v_v11 v_v22 v_v33 thermo_style custom step temp press v_pxy v_pxz v_pyz v_v11 v_v22 v_v33
run 100000 run 100000
variable v equal (v_v11+v_v22+v_v33)/3.0 variable v equal (v_v11+v_v22+v_v33)/3.0