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This commit is contained in:
Tom Swinburne
2020-04-20 10:20:53 +02:00
parent 946cb27267
commit 8fa2092580
3 changed files with 1394 additions and 1 deletions
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2
examples/USER/misc/pafi/.gitignore vendored
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@ -1 +1,3 @@
couple/*
*.dat
lmp*

2
examples/USER/misc/pafi/in.pafi.lammps
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@ -5,7 +5,7 @@ neigh_modify every 2 delay 10 check yes page 1000000 one 100000
## read in path data using fix property/atom
fix pa all property/atom d_nx d_ny d_nz d_dnx d_dny d_dnz d_ddnx d_ddny d_ddnz
read_data test.dat fix pa NULL PafiPath
read_data pafi.data fix pa NULL PafiPath
run 0
## EAM potential

1391
examples/USER/misc/pafi/pafi.data Normal file
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