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Update version.h (#4930) Container #2036: Commit 1ddf8e2 pushed by kirk0830
August 12, 2024 07:52 28m 52s v3.7.3
v3.7.3
August 12, 2024 07:52 28m 52s
Update version.h (#4930) Container #2035: Commit 1ddf8e2 pushed by kirk0830
August 12, 2024 07:11 34m 29s develop
develop
August 12, 2024 07:11 34m 29s
Toolchain 202402 (#4945) Container #2034: Commit eaf27f8 pushed by kirk0830
August 12, 2024 07:08 30m 12s develop
develop
August 12, 2024 07:08 30m 12s
Fix: improve the experience of using molden.py postprocessing tool … Container #2033: Commit e614606 pushed by mohanchen
August 12, 2024 07:01 26m 57s develop
develop
August 12, 2024 07:01 26m 57s
optimize HexxR reading (#4952) Container #2032: Commit 3a3d535 pushed by mohanchen
August 12, 2024 05:28 32m 18s develop
develop
August 12, 2024 05:28 32m 18s
fix a possible bug when dir is auto (#4948) Container #2031: Commit b71534f pushed by mohanchen
August 11, 2024 13:39 31m 20s develop
develop
August 11, 2024 13:39 31m 20s
Refactor: change hsolver-lcao call manner in SpinConstrain (#4946) Container #2030: Commit b1b03fe pushed by mohanchen
August 11, 2024 13:33 29m 37s develop
develop
August 11, 2024 13:33 29m 37s
Refactor: Make Hsolver_sdft a local variable in hamilt_to_density fun… Container #2029: Commit b7ffff7 pushed by mohanchen
August 11, 2024 13:30 22m 11s develop
develop
August 11, 2024 13:30 22m 11s
Tools: support molden file generation via NAO2GTO (#4937) Container #2028: Commit 111073b pushed by mohanchen
August 9, 2024 13:39 31m 19s develop
develop
August 9, 2024 13:39 31m 19s
Fix the issue of some timer instances not being closed, resulting i… Container #2027: Commit 6321891 pushed by mohanchen
August 9, 2024 13:38 22m 8s develop
develop
August 9, 2024 13:38 22m 8s
Fix: delete the unexpected debug info during scf (#4936) Container #2026: Commit 0b247f3 pushed by mohanchen
August 9, 2024 09:53 22m 6s develop
develop
August 9, 2024 09:53 22m 6s
fix bug (#4933) Container #2025: Commit 24e7ba6 pushed by mohanchen
August 9, 2024 08:56 26m 53s develop
develop
August 9, 2024 08:56 26m 53s
fix bug due to forgotten fix_gamma in writing eband terms (#4934) Container #2024: Commit e365ce5 pushed by mohanchen
August 9, 2024 07:43 45m 11s develop
develop
August 9, 2024 07:43 45m 11s
fix bug. (#4932) Container #2023: Commit 919b58d pushed by mohanchen
August 9, 2024 07:42 44m 58s develop
develop
August 9, 2024 07:42 44m 58s
change hsolver-lip call manner (#4931) Container #2022: Commit 943ced3 pushed by mohanchen
August 9, 2024 07:21 40m 19s develop
develop
August 9, 2024 07:21 40m 19s
Refactor: change hsolver_lcao call manner (#4929) Container #2021: Commit c304e0d pushed by mohanchen
August 9, 2024 07:20 22m 9s develop
develop
August 9, 2024 07:20 22m 9s
Refactor: Relate to PEXSI-related changes caused by refactor #4767 (#… Container #2020: Commit 819bc15 pushed by mohanchen
August 9, 2024 01:33 31m 28s develop
develop
August 9, 2024 01:33 31m 28s
Refactor: remove function mult_psi_DM and mult_psi_DM_new (#4926) Container #2019: Commit 969f643 pushed by mohanchen
August 9, 2024 01:32 22m 25s develop
develop
August 9, 2024 01:32 22m 25s
Continue to move the deepks output files into the OUT folder (#4924) Container #2018: Commit fddcdda pushed by mohanchen
August 8, 2024 14:16 26m 53s develop
develop
August 8, 2024 14:16 26m 53s
Doc: real spherical harmonics and basis ordering clarified (#4922) Container #2017: Commit 4318ae0 pushed by mohanchen
August 8, 2024 12:49 24m 57s develop
develop
August 8, 2024 12:49 24m 57s
Revert "Move the cal_nnrg file and modify the variable length. (#4886… Container #2016: Commit 5e0406f pushed by mohanchen
August 8, 2024 12:01 26m 49s develop
develop
August 8, 2024 12:01 26m 49s
remove the heritance of HSolverLR (#4917) Container #2015: Commit fb02c31 pushed by mohanchen
August 8, 2024 08:31 31m 32s develop
develop
August 8, 2024 08:31 31m 32s
Refactor: remove do_after_converge (#4910) Container #2014: Commit 28a1e7f pushed by mohanchen
August 8, 2024 08:31 22m 16s develop
develop
August 8, 2024 08:31 22m 16s
Move the cal_nnrg file and modify the variable length. (#4886) Container #2013: Commit fa32970 pushed by mohanchen
August 8, 2024 04:56 22m 11s develop
develop
August 8, 2024 04:56 22m 11s
Feature: enable SCF can converge if SCF reach a chosen energy thresho… Container #2012: Commit 1bea224 pushed by mohanchen
August 8, 2024 01:53 28m 7s develop
develop
August 8, 2024 01:53 28m 7s