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proximal_prim_extraction

generate multiple ouput

python extract_small_confgs_from_GMC_batch.py --MAXSIZE 64 -pr example_1/original/PRIM -po example_1/original/POSCAR.ideal --WriteToPoscar example_1/extracted/output_poscar --BatchSize 10 --TrialMultiplier 10

if you have large supercell, it may be useful to do save and load

python extract_small_confgs_from_GMC_batch.py --MAXSIZE 64 -pr example_1/original/PRIM -po example_1/original/POSCAR.ideal --WriteToPoscar example_1/extracted/output_poscar --BatchSize 10 --TrialMultiplier 10 --SaveErrorVectorObjFile test001

python extract_small_confgs_from_GMC_batch.py --MAXSIZE 64 -pr example_1/original/PRIM -po example_1/original/POSCAR.ideal --WriteToPoscar example_1/extracted/output_poscar --BatchSize 10 --TrialMultiplier 10 --LoadErrorVectorObjFile test001

Just generate one output (not recommended, outdated , deprecated, I will not update this part anymore)

python extract_small_confgs_from_GMC.py --MAXSIZE 64 -pr example_1/PRIM -po example_1/POSCAR.ideal --WriteToPoscar example_1/POSCAR_OUTPUT

added implementation of one more method called --AlgoPartialSnapShotOfPoscar 1 (seems there is some bug)

Just add --AlgoPartialSnapShotOfPoscar 1 to the following lines to activate it

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