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Feature: Support cube format real-space wave function output for Pl… Doxygen Documentation Deployment #111: Commit dcbeb06 pushed by Cstandardlib
3s develop
develop
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Test: Add RT-TDDFT GPU integrate tests and fix some related bugs/typo… Doxygen Documentation Deployment #110: Commit eb20d48 pushed by Cstandardlib
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Feature: multi-k case support for out_dm=1 (#6181) Doxygen Documentation Deployment #109: Commit d266914 pushed by Cstandardlib
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Fix : fix the segment fault of md/relax of deepks by changing locatio… Doxygen Documentation Deployment #108: Commit 15835bd pushed by Cstandardlib
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Refactor: reduce the read-in loop in sts_line (#6148) Doxygen Documentation Deployment #107: Commit 42e098c pushed by Cstandardlib
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Update Hamiltonian and Operator classes (#6084) Doxygen Documentation Deployment #106: Commit ce45c3f pushed by Cstandardlib
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Fix: std::out_of_range of map when out_mat_t with multi-core (#6090) Doxygen Documentation Deployment #105: Commit 6207798 pushed by Cstandardlib
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Update ABACUS output formats, accept it after 3.10 version (#6076) Doxygen Documentation Deployment #104: Commit 35448cb pushed by Cstandardlib
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add a check before calculating EXX force (#6067) Doxygen Documentation Deployment #103: Commit e506d00 pushed by Cstandardlib
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Fix: Enhance the warning message when the XC name cannot be recognize… Doxygen Documentation Deployment #102: Commit fa3b783 pushed by Cstandardlib
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Feature: Make KG-KSDFT support GPU (#6013) Doxygen Documentation Deployment #101: Commit 8973c25 pushed by Cstandardlib
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Tests: one integrate test for exx pw, only for verifying whether exx … Doxygen Documentation Deployment #100: Commit 7838569 pushed by Cstandardlib
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test: correct INPUT of examples/spin_polarized/ATOM (#5998) Doxygen Documentation Deployment #99: Commit 992f39e pushed by Cstandardlib
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Fix: One segmentation fault related to EXX PW (#5993) Doxygen Documentation Deployment #98: Commit f93b3a9 pushed by Cstandardlib
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Refactor:Modify Weights and Ebands Functions in the elecstate Module … Doxygen Documentation Deployment #97: Commit 5ed2b2a pushed by Cstandardlib
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Update some formats in LCAO_operator and ESolver (#5987) Doxygen Documentation Deployment #96: Commit 3950276 pushed by Cstandardlib
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Refactor: decrease memory cost of get_s (#5979) Doxygen Documentation Deployment #95: Commit 5d97dd8 pushed by Cstandardlib
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modify doc (#5965) Doxygen Documentation Deployment #94: Commit f1508aa pushed by Cstandardlib
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Refactor: new gint module (#5869) Doxygen Documentation Deployment #93: Commit 105fd19 pushed by Cstandardlib
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Add memory functions using abacusDevice_t (#5861) Doxygen Documentation Deployment #92: Commit 76d023b pushed by Cstandardlib
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Update pdm before outputting DeePKS labels (#5857) Doxygen Documentation Deployment #91: Commit b809ce6 pushed by Cstandardlib
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Fix a bug and a magic number in module_exx_symmetry (#5848) Doxygen Documentation Deployment #90: Commit 806de4a pushed by Cstandardlib
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Refactor:remove MPI part funcs of ucell (#5810) Doxygen Documentation Deployment #89: Commit 464c7a1 pushed by Cstandardlib
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add const in module_lr (#5817) Doxygen Documentation Deployment #88: Commit 706633f pushed by Cstandardlib
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Refactor: Remove global dependence of descriptor, orbital_precalc, v_… Doxygen Documentation Deployment #87: Commit e25db6e pushed by Cstandardlib
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