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Commit 39c914f8 authored by Sarath Radhakrishnan Menon's avatar Sarath Radhakrishnan Menon
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Merge branch 'hdnnp-name' into 'main'

Escape potential files list correctly

See merge request !25
parents 3bf1a855 0efb208e
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1 merge request!25Escape potential files list correctly
,Config,Filename,Model,Name,Species,Citations
0,"['pair_style eam/fs\n', 'pair_coeff * * AlLi.eam.fs Al Li\n']",['atomicrex/AlLi.eam.fs'],Atomicrex,AlLi-atomicrex,"['Al', 'Li']",{}
1,"['pair_style eam/fs\n', 'pair_coeff * * AlLi-atomicrex2.eam.fs Al Li\n']",['atomicrex/AlLi-atomicrex2.eam.fs'],Atomicrex,AlLi-atomicrex2,"['Al', 'Li']",{}
2,"['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']",['/home/jovyan/workshop_preparation/resources/lammps/potentials/hdnnp/input.nn', '/home/jovyan/workshop_preparation/resources/lammps/potentials/hdnnp/scaling.data', '/home/jovyan/workshop_preparation/resources/lammps/potentials/hdnnp/weights.013.data', '/home/jovyan/workshop_preparation/resources/lammps/potentials/hdnnp/weights.003.data'],HDNNP,RuNNer-AlLi,"['Al', 'Li']",{}
3,"['pair_style pace\n', 'pair_coeff * * AlLi-6gen-18May.yace\n']",['ace/AlLi-6gen-18May.yace'],ACE,AlLi-ACE,"['Al', 'Li']",{}
\ No newline at end of file
2,"['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']",{}
3,"['pair_style pace\n', 'pair_coeff * * AlLi-6gen-18May.yace\n']",['ace/AlLi-6gen-18May.yace'],ACE,AlLi-ACE,"['Al', 'Li']",{}
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