Conversion and export¶
Convert input conventions and older databases, or export recorded results.
Read an EON .con file, optionally repairing malformed worker headers. |
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Write an ASE-readable copy of a SODA worker .con file. |
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Convert fixed/mobile tags between native NEBScape and SODA. |
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Convert native NEBScape XYZ fixed/mobile tags to the SODA convention. |
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Convert SODA XYZ fixed/mobile tags to the native NEBScape convention. |
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Convert a supported native NEBScape calculator spec to SODA config fields. |
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Convert a supported native NEBScape run setup skeleton to SODA files. |
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Convert native EZGA fixed columns and SODA fixed-atom tags. |
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Convert native EZGA XYZ fixed columns to the SODA tag convention. |
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Convert SODA XYZ fixed tags to native EZGA fixed columns. |
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Convert a supported native EZGA run setup skeleton to SODA files. |
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Convert multiple native EZGA agent setups into one SODA run folder. |
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Convert a supported older HDF5 database to the current SODA schema. |
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Export recorded NEBScape results to a native-style analysis folder. |