Summary
Currently, QuipGapXYZFormat only supports from_multi_systems.
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@Format.register("quip/gap/xyz") |
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@Format.register("quip/gap/xyz_file") |
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class QuipGapXYZFormat(Format): |
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def from_labeled_system(self, data, **kwargs): |
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return data |
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def from_multi_systems(self, file_name, **kwargs): |
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# here directory is the file_name |
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return QuipGapxyzSystems(file_name) |
Implement to_labeled_system and to_multi_systems for QuipGapXYZFormat.
Detailed Description
to_multi_systems: may dump all systems in one file.
Further Information, Files, and Links
No response
Summary
Currently,
QuipGapXYZFormatonly supportsfrom_multi_systems.dpdata/dpdata/plugins/xyz.py
Lines 50 to 58 in ba31bcd
Implement
to_labeled_systemandto_multi_systemsforQuipGapXYZFormat.Detailed Description
to_multi_systems: may dump all systems in one file.Further Information, Files, and Links
No response