Jacob Gissinger 579ce56cd7 consistent 'nofix' options for write_data ...

'fix bond/react' writes some extra sections that parsers don't always know how to handle

2024-10-13 22:18:49 -04:00

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2styrene_map

rename example folders

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2styrene_reacted.molecule_template

type-labels: polystyrene example

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2styrene_unreacted.molecule_template

type-labels: polystyrene example

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chain_chain_map

rename example folders

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chain_chain_reacted.molecule_template

type-labels: polystyrene example

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chain_chain_unreacted.molecule_template

type-labels: polystyrene example

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chain_plus_styrene_map

rename example folders

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chain_plus_styrene_reacted.molecule_template

type-labels: polystyrene example

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chain_plus_styrene_unreacted.molecule_template

type-labels: polystyrene example

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in.tiny_polystyrene.stabilized

consistent 'nofix' options for write_data

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log.4Nov19.tiny_polystyrene.stabilized.g++.4

type-labels: polystyrene example

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log.4Nov2020.tiny_polystyrene.stabilized.g++.1

type-labels: polystyrene example

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tiny_polystyrene.data

type-labels: polystyrene example

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