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pyiron
Potentials Workshop 2021
Commits
8917d75d
Unverified
Commit
8917d75d
authored
Mar 08, 2021
by
Sudarsan Surendralal
Committed by
GitHub
Mar 08, 2021
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Update potentials_lammps.csv
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a5e6a0c6
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resources/lammps/potentials/potentials_lammps.csv
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8917d75d
,Config,Filename,Model,Name,Species,Citations
0,"['pair_style pace\n', 'pair_coeff * * df3_cut75_large_body_order.ace Cu\n']",['ace/df3_cut75_large_body_order.ace'],ACE,Cu-ace,['Cu'],{}
0,"['pair_style eam/fs\n', 'pair_coeff * * DF1residual0.128179.eam.fs Cu\n']",['atomicrex/DF1residual0.128179.eam.fs'],ACE,Cu-atomicrex-df1-0-13,['Cu'],{}
0,"['pair_style eam/fs\n', 'pair_coeff * * residual68.2249.eam.fs Cu\n']",['atomicrex/residual68.2249.eam.fs'],A
CE
,Cu-atomicrex-df1-68-22,['Cu'],{}
0,"['pair_style eam/fs\n', 'pair_coeff * * residual68.2524.eam.fs Cu\n']",['atomicrex/residual68.2524.eam.fs'],A
CE
,Cu-atomicrex-df1-68-25,['Cu'],{}
0,"['pair_style eam/fs\n', 'pair_coeff * * residual107.251.eam.fs Cu\n']",['atomicrex/residual107.251.eam.fs'],A
CE
,Cu-atomicrex-df1-107-25,['Cu'],{}
0,"['pair_style eam/fs\n', 'pair_coeff * * residual68.2249.eam.fs Cu\n']",['atomicrex/residual68.2249.eam.fs'],A
tomicrex
,Cu-atomicrex-df1-68-22,['Cu'],{}
0,"['pair_style eam/fs\n', 'pair_coeff * * residual68.2524.eam.fs Cu\n']",['atomicrex/residual68.2524.eam.fs'],A
tomicrex
,Cu-atomicrex-df1-68-25,['Cu'],{}
0,"['pair_style eam/fs\n', 'pair_coeff * * residual107.251.eam.fs Cu\n']",['atomicrex/residual107.251.eam.fs'],A
tomicrex
,Cu-atomicrex-df1-107-25,['Cu'],{}
0,"['pair_style nnp dir ""."" showew no showewsum 0 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 emap ""1:Cu""\n', 'pair_coeff * * 12\n']","['runner/df1/input.nn', 'runner/df1/weights.029.data', 'runner/df1/scaling.data']",RuNNer,Cu-runner-df1,['Cu'],{}
0,"['pair_style nnp dir ""."" showew no showewsum 0 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 emap ""1:Cu""\n', 'pair_coeff * * 12\n']","['runner/df4/input.nn', 'runner/df4/weights.029.data', 'runner/df4/scaling.data']",RuNNer,Cu-runner-df4,['Cu'],{}
0,"['pair_style nnp dir ""."" showew no showewsum 0 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254 emap ""1:Cu""\n', 'pair_coeff * * 12\n']","['runner/df4-lowerRMSE/input.nn', 'runner/df4-lowerRMSE/weights.029.data', 'runner/df4-lowerRMSE/scaling.data']",RuNNer,Cu-runner-df4-lowerRMSE,['Cu'],{}
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