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feat(md): add CSVR thermostat for NVT molecular dynamics (#7461) Container #348: Commit 777f50c pushed by AsTonyshment
1s develop
develop
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Build(deps): Bump actions/checkout from 6 to 7 (#7506) Container #347: Commit 59ebed5 pushed by AsTonyshment
1s develop
develop
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Force calculation for hybrid gauge rt-tddft (#7474) Container #346: Commit 30db3a4 pushed by AsTonyshment
2s develop
develop
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Refactor: simplify Mixing DM (#7462) Container #345: Commit 29fc792 pushed by AsTonyshment
1s develop
develop
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Feature: DeltaSpin for LCAO and PW base and DFTU for PW, both colline… Container #344: Commit 420f1ad pushed by AsTonyshment
1s develop
develop
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Feature: Support more options and features in the new script for RT-T… Container #343: Commit 42184c5 pushed by AsTonyshment
7s develop
develop
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Container Container #342: by AsTonyshment
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Formatting files in /source/source_hamilt/module_xc, try to remove Gl… Container #341: Commit 707f092 pushed by AsTonyshment
1s develop
develop
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fix(io): add space separators in out_mat_l format string (#7454) Container #340: Commit c4939c7 pushed by AsTonyshment
2s develop
develop
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Refactor: Improve stability of KSDFT-generated ML descriptors (#7431) Container #339: Commit 6320309 pushed by AsTonyshment
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develop
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Refactor: move exx files (#7352) Container #338: Commit d83621a pushed by AsTonyshment
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Update the output of OFDFT, particularly for the ML part (#7383) Container #337: Commit 1919027 pushed by AsTonyshment
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Refactor: Remove obsolete cross-device copy constructor in HamiltPW… Container #336: Commit 46fe015 pushed by AsTonyshment
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develop
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Container Container #335: by AsTonyshment
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Fix: use correct \psi for GPU in cal_tau for ELF (#7378) Container #334: Commit d33c34f pushed by AsTonyshment
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fix(sdft): add CT (Chebyshev Trace) iter_header for pure SDFT without… Container #333: Commit 09b423e pushed by AsTonyshment
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develop
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Container Container #332: by AsTonyshment
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Refactor: clean up and fix TDOFDFT evolve_ofdft module (#7389) Container #331: Commit 67a0e88 pushed by AsTonyshment
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Test: separate from #7304 for test cases only (#7382) Container #330: Commit 91c0c03 pushed by AsTonyshment
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fix(dftu): resolve conflict between yukawa_potential and uramping (#7… Container #329: Commit 0e094f6 pushed by AsTonyshment
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fix(gint): use fp64 accumulators in mixed-precision paths to avoid pr… Container #328: Commit b5ff54c pushed by AsTonyshment
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Modify headers in source_basis to lower the dependency's depth (#7364) Container #327: Commit f09748a pushed by AsTonyshment
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fix(dsp): correct dspDestoryHandle to use cluster ID (MY_RANK % dsp_c… Container #326: Commit 8e50659 pushed by AsTonyshment
Skipped develop
develop
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Container Container #325: by AsTonyshment
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Fix potential Data race in OpenMP (#7345) Container #324: Commit 72dd71c pushed by AsTonyshment
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develop
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