megmcca / FitSNAP

Software for generating SNAP machine-learning interatomic potentials
GNU General Public License v2.0
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convert all read-in input FILES to input_dicts, and make output possible #4

Open megmcca opened 1 year ago

megmcca commented 1 year ago

also: this is very annoying behavior of all ConfigParsers - it makes ALL input lower case... big problem with group_table stuff :-( this can be changed here: https://stackoverflow.com/questions/19359556/configparser-reads-capital-keys-and-make-them-lower-case