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Commit 149c0c3a authored by Sarath Radhakrishnan Menon's avatar Sarath Radhakrishnan Menon
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update potentials

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resources/lammps/potentials/potentials_lammps.csv
+ 6
− 5
View file @ 149c0c3a
......@@ -2,8 +2,9 @@
0,"['pair_style eam/fs\n', 'pair_coeff * * AlLi.eam.fs Al\n']",['atomicrex/AlLi.eam.fs'],Atomicrex,Al-atomicrex,"['Al']",{}
1,"['pair_style eam/fs\n', 'pair_coeff * * AlLi.eam.fs Li\n']",['atomicrex/AlLi.eam.fs'],Atomicrex,Li-atomicrex,"['Li']",{}
2,"['pair_style eam/fs\n', 'pair_coeff * * AlLi.eam.fs Al Li\n']",['atomicrex/AlLi.eam.fs'],Atomicrex,AlLi-atomicrex,"['Al', 'Li']",{}
3,"['pair_style eam/fs\n', 'pair_coeff * * AlLi-atomicrex2.eam.fs Al Li\n']",['atomicrex/AlLi-atomicrex2.eam.fs'],Atomicrex,AlLi-atomicrex2,"['Al', 'Li']",{}
4,"['pair_style hdnnp 6.350126526766093 dir ./ showew yes showewsum 0 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254\n', 'pair_coeff * * Al Li\n']","['hdnnp/input.nn', 'hdnnp/scaling.data', 'hdnnp/weights.013.data', 'hdnnp/weights.003.data']",HDNNP,RuNNer-AlLi,"['Al', 'Li']",{}
5,"['pair_style pace\n', 'pair_coeff * * AlLi-6gen-18May.yace\n']",['ace/AlLi-6gen-18May.yace'],ACE,AlLi-ACE,"['Al', 'Li']",{}
6,"['pair_style pace\n', 'pair_coeff * * AlLi-6gen-18May.yace\n']",['ace/AlLi-6gen-18May.yace'],ACE,Al-ACE,"['Al']",{}
7,"['pair_style pace\n', 'pair_coeff * * AlLi-6gen-18May.yace\n']",['ace/AlLi-6gen-18May.yace'],ACE,Li-ACE,"[Li']",{}
3,"['pair_style eam/fs\n', 'pair_coeff * * AlLi.eam.fs Li Al\n']",['atomicrex/AlLi.eam.fs'],Atomicrex,LiAl-atomicrex,"['Li', 'Al']",{}
4,"['pair_style eam/fs\n', 'pair_coeff * * AlLi-atomicrex2.eam.fs Al Li\n']",['atomicrex/AlLi-atomicrex2.eam.fs'],Atomicrex,AlLi-atomicrex2,"['Al', 'Li']",{}
5,"['pair_style hdnnp 6.350126526766093 dir ./ showew yes showewsum 0 resetew no maxew 100 cflength 1.8897261328 cfenergy 0.0367493254\n', 'pair_coeff * * Al Li\n']","['hdnnp/input.nn', 'hdnnp/scaling.data', 'hdnnp/weights.013.data', 'hdnnp/weights.003.data']",HDNNP,RuNNer-AlLi,"['Al', 'Li']",{}
6,"['pair_style pace\n', 'pair_coeff * * AlLi-6gen-18May.yace\n']",['ace/AlLi-6gen-18May.yace'],ACE,AlLi-ACE,"['Al', 'Li']",{}
7,"['pair_style pace\n', 'pair_coeff * * AlLi-6gen-18May.yace\n']",['ace/AlLi-6gen-18May.yace'],ACE,Al-ACE,"['Al']",{}
8,"['pair_style pace\n', 'pair_coeff * * AlLi-6gen-18May.yace\n']",['ace/AlLi-6gen-18May.yace'],ACE,Li-ACE,"[Li']",{}
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