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Releases: salrodgom/CEGA

Conformer Ensemble Generation For Adsorption

08 Jun 10:30
@salrodgom salrodgom
v1.1
1d0ecc1
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Conformer Ensemble Generation For Adsorption Latest
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	new file:   TAMOF-1.cif

	new file:   TAMOF-1_GFN2-xTB/OptimisationxTB.log
	new file:   TAMOF-1_GFN2-xTB/OptimisationxTB.sh
	new file:   TAMOF-1_GFN2-xTB/TAMOF-1.cif
	new file:   TAMOF-1_GFN2-xTB/TAMOF-1_Optimised.cif
	new file:   TAMOF-1_GFN2-xTB/band.out
	new file:   TAMOF-1_GFN2-xTB/charges
	new file:   TAMOF-1_GFN2-xTB/charges.bin
	new file:   TAMOF-1_GFN2-xTB/detailed.out
	new file:   TAMOF-1_GFN2-xTB/dftb_pin.hsd
	new file:   TAMOF-1_GFN2-xTB/geo.gen
	new file:   TAMOF-1_GFN2-xTB/geo_restart.cif
	new file:   TAMOF-1_GFN2-xTB/log
	new file:   force_field_mixing_rules.def
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ConformerEnsembleGenerationForAdsorption v1.0

08 Jun 09:00
@salrodgom salrodgom
v1
7d4f709
This commit was created on github.com and signed with GitHub’s verified signature. The key has expired.
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ConformerEnsembleGenerationForAdsorption v1.0 Pre-release
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