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megmcca
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FitSNAP
Software for generating SNAP machine-learning interatomic potentials
GNU General Public License v2.0
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bzeroflag = 1 still broken with ACE
#16
megmcca
opened
11 months ago
0
Inconsistencies when fitting ACE and SNAP on same data/input
#15
megmcca
opened
11 months ago
2
transpose_trick using SNAP, error on fs.solver.errors call
#14
megmcca
opened
11 months ago
0
Streamline configuration file (settings file) input/output
#13
megmcca
opened
11 months ago
0
Need option to separate and streamline error analysis from other steps
#12
megmcca
opened
11 months ago
0
Add option to dump fitsnap_dict
#11
megmcca
opened
11 months ago
0
Make documentation for common manipulable FitSNAP data structures
#10
megmcca
opened
11 months ago
2
GA - questions
#9
megmcca
opened
1 year ago
1
new PR - minor_fixes branch
#8
megmcca
closed
1 year ago
0
functional-errors fails with large (~5-6 GB) Descriptors.npy file
#7
megmcca
closed
11 months ago
0
GA-snap iloc error, squish it
#6
megmcca
opened
1 year ago
0
add option to output pickled configs (dictonaries) in INPUT settings
#5
megmcca
opened
1 year ago
0
convert all read-in input FILES to input_dicts, and make output possible
#4
megmcca
opened
1 year ago
0
smartweights for stresses modifies fweights?
#3
megmcca
closed
1 year ago
0
EXTRAS group settings update not *fully working in library mode
#2
megmcca
opened
1 year ago
1
VASP scraper into megmcca/FitSNAP fork
#1
megmcca
closed
1 year ago
0