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Refactor: rename to delete new from names of operators in source_lcao
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Refactor: rename to delete new from names of operators in source_lcao
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Refactor: rename to delete new from names of operators in source_lcao
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refactor: esolver to ctrl_scf_lcao
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refactor: esolver to ctrl_scf_lcao
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refactor: esolver to ctrl_scf_lcao
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fix: UT for write_elf
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fix: UT for write_elf
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fix: UT for write_elf
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Feature: support ELF with non-collinear spin (nspin = 4)
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Feature: support ELF with non-collinear spin (nspin = 4)
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Feature: support ELF with non-collinear spin (nspin = 4)
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Fix: Hefei-NAMD interface of file syns_nao.csr and parameter cal_syns
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Fix: Hefei-NAMD interface of file syns_nao.csr and parameter cal_syns
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Fix: UT error of fixed_axes
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Fix: UT error of fixed_axes
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Refactor&Doc: simplify read_atoms.cpp and update stru.md doc
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Refactor&Doc: simplify read_atoms.cpp and update stru.md doc
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