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remove PAW-related codes (#7277) Doxygen Documentation Deployment #185: Commit 5271ce2 pushed by Cstandardlib
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develop
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feat(input, kpoints): support shifted kspacing mesh with koffset and … Doxygen Documentation Deployment #184: Commit 3669a02 pushed by Cstandardlib
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Feature: use new format of CSR file for out_mat_hs2 and out_mat_ds, o… Doxygen Documentation Deployment #183: Commit 533ca12 pushed by Cstandardlib
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develop
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refactor: find scalapack automatically (#7235) Doxygen Documentation Deployment #182: Commit 60ea82d pushed by Cstandardlib
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Feature: add OpenMP in XC_Functional_Libxc::v_xc_libxc() (#7130) Doxygen Documentation Deployment #181: Commit d0a094b pushed by Cstandardlib
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develop
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[Tests] Add test for small cell (#7216) Doxygen Documentation Deployment #180: Commit ccd9445 pushed by Cstandardlib
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feat(gint): enable mixed-precision (fp32/fp64) support for GPU path (… Doxygen Documentation Deployment #179: Commit 3a996b6 pushed by Cstandardlib
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feat(gint): add single-precision (fp32) support for grid integration … Doxygen Documentation Deployment #178: Commit e1946af pushed by Cstandardlib
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Add initialization checking in BFGS, and replace the old BFGS with a … Doxygen Documentation Deployment #177: Commit abf77eb pushed by Cstandardlib
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Feature: support the setting on atomic magnetic moment via ase.atoms.… Doxygen Documentation Deployment #176: Commit e97cf59 pushed by Cstandardlib
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Refactor: add nullptr for uninitialized pointer (#7069) Doxygen Documentation Deployment #175: Commit 3cab0f0 pushed by Cstandardlib
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修复了input.cpp char数组溢出风险 (#7050) Doxygen Documentation Deployment #174: Commit 7d641c1 pushed by Cstandardlib
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Fix DSP count check problem (#7035) Doxygen Documentation Deployment #173: Commit f833256 pushed by Cstandardlib
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Stabilize RI RPA/EXX and Ewald EXX method merge on develop (#7019) Doxygen Documentation Deployment #172: Commit 3f9e462 pushed by Cstandardlib
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add output-specification in doc (#7031) Doxygen Documentation Deployment #171: Commit cc50db0 pushed by Cstandardlib
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Fix buffer overflow in H_Ewald_pw::rgen for very small unit cells / h… Doxygen Documentation Deployment #170: Commit 7962634 pushed by Cstandardlib
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refactor esolver_ks_pw (#7008) Doxygen Documentation Deployment #169: Commit f781fac pushed by Cstandardlib
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Add gemv_op_mt for DSP (#7009) Doxygen Documentation Deployment #168: Commit 6e8322d pushed by Cstandardlib
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Use a unified hpsi_func/spsi_func for all ks_solvers (#7002) Doxygen Documentation Deployment #167: Commit 5d834e9 pushed by Cstandardlib
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Feature: support pyabacus to run abacus directory (Useful information… Doxygen Documentation Deployment #166: Commit 17b38af pushed by Cstandardlib
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Add gemv_op_mt for DSP Doxygen Documentation Deployment #165: Commit 2ad09fe pushed by Cstandardlib
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Use a unified hpsi_func/spsi_func for all ks_solvers (#7002) Doxygen Documentation Deployment #164: Commit 5d834e9 pushed by Cstandardlib
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Refactor: remove dependence of Tensor for cg interface (#7000) Doxygen Documentation Deployment #163: Commit 51e2a78 pushed by Cstandardlib
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Fix: correct the unit conversion between Plumed and ASE in example (#… Doxygen Documentation Deployment #162: Commit d999af7 pushed by Cstandardlib
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Update version to v3.9.0.25 (#6986) Doxygen Documentation Deployment #161: Commit 2087308 pushed by Cstandardlib
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