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0.3.437bb16f8 · ·
[chgdiff] add charge density difference calculator [workfunc] add work function calculator
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0.3.26640f786 · ·
[bugfix] fix forgetted constraints in traj command [commands] change some optional args to positional args
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0.3.192acd139 · ·
[rsgrad] add poscar operations, only POSCAR split is available [rsgrad] add POSCAR modulation method
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0.2.3a67974b5 · ·
- Fix parse_cell failure in ISYM!=0 systems; - Fix parse_dof failure for vibration systems
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