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A parameter is needed to control whether to output a trajectory file during MD calculations in ABACUS
GPU validation
#230:
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#7877 (comment)
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ASE error in GitHub Actions CI
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#229:
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Structural relaxation does not converge for CO/Rh(111) although SCF converges
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Refactor parallel communicators, Introduce module_parallel and migra…
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[Bug] Default yukawa_lambda can produce NaN U/J from tiny negative charge density
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Feature: Support ultrasoft pseudopotentials (USPP) in PW BPCG (#7904)
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Feature: Support ultrasoft pseudopotentials (USPP) in PW BPCG (#7904)
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Feature: Support ultrasoft pseudopotentials (USPP) in PW BPCG (#7904)
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Refactor parallel communicators, Introduce module_parallel and migrate rhog_io to domain-aware interfaces
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Fix GPU nonmagnetic spinor charge accumulation (#7902)
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Fix GPU nonmagnetic spinor charge accumulation (#7902)
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