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Feature/al
#32
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yury-lysogorskiy
closed
1 year ago
yury-lysogorskiy
commented
1 year ago
pyace:
upd pace_activeset: add --error-force-threshold (default auto) and --all-atoms (default - False)
add activeexploration.py
bugfix singular matrix for active set calculation
bugfix pace_activeset -e 0 default
add active exploration (pyace.activeexploration.ActiveExploration + example) ace and ace-evaluator:
upd multiarrays
reduce gcc warnings, -Wvla
pyace: