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ATC version 2.0, date: Aug21

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10639 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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rjones
2013-08-21 23:06:11 +00:00
parent d77ab2f96a
commit b22a8a7b61
91 changed files with 4603 additions and 4673 deletions
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13
examples/USER/atc/mesh/gaussianIC2d_hex20_uniform.screen
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@ -1,4 +1,4 @@
LAMMPS (14 Aug 2013)
LAMMPS (24 Aug 2013)
units real
atom_style atomic
@ -33,6 +33,7 @@ group internal region mdInternal
fix AtC internal atc two_temperature Ar_ttm.mat
ATC: constructing two_temperature coupling with parameter file Ar_ttm.mat
ATC: version 2.0
ATC: peratom PE compute created with ID: 3
ATC: 2 materials defined from Ar_ttm.mat
ATC: creating two_temperature extrinsic model
@ -83,13 +84,13 @@ Step Temp PotEng AtC[2] AtC[4]
80 10.015134 -3732.7051 20.022115 21.767782
90 10.008795 -3732.612 20.017899 21.778957
100 10.001827 -3732.5177 20.013234 21.790338
Loop time of 19.9066 on 4 procs for 100 steps with 2304 atoms
Loop time of 11.1578 on 4 procs for 100 steps with 2304 atoms
Pair time (%) = 0.396025 (1.98942)
Pair time (%) = 0.343728 (3.08059)
Neigh time (%) = 0 (0)
Comm time (%) = 0.421989 (2.11984)
Outpt time (%) = 0.125925 (0.63258)
Other time (%) = 18.9627 (95.2582)
Comm time (%) = 0.0180171 (0.161474)
Outpt time (%) = 0.115886 (1.03861)
Other time (%) = 10.6802 (95.7193)
Nlocal: 576 ave 576 max 576 min
Histogram: 4 0 0 0 0 0 0 0 0 0