Clean up #3010
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Clean up #3010
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> mol_ids.extend([i + 1] * len(topo)) E TypeError: object of type 'Topology' has no len() pymatgen/io/lammps/data.py:786: TypeError
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May 23, 2023
* simplify: structure.sites -> structure * ruff unignore SIM115, fix pymatgen/io/qchem/tests/test_inputs.py * ruff unignore RET501 and fix unnecessary return none * ruff unignore and fix PLW3301 * ruff unignore PLW0603 and fix use of globals * improve TestCRESTOutput readability * ruff unignore PD002 (pandas don't use inplace) * fix LammpsDataTest.test_from_structure() > mol_ids.extend([i + 1] * len(topo)) E TypeError: object of type 'Topology' has no len() pymatgen/io/lammps/data.py:786: TypeError
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742f461 simplify:
structure.sites->structure9eb253c
ruffunignoreSIM115, fixpymatgen/io/qchem/tests/test_inputs.py04e4fd6
ruffunignoreRET501and fix unnecessaryreturn None46ed471
ruffunignore and fixPLW33016e74192
ruffunignorePLW0603and fix use ofglobals24f812e improve
TestCRESTOutputreadabilitybc93f61
ruffunignorePD002(pandas don't use inplace)