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Tools: support molden file generation via NAO2GTO (#4937) Doxygen Documentation Deployment #334: Commit 111073b pushed by mohanchen
August 9, 2024 13:39 7m 41s develop
develop
August 9, 2024 13:39 7m 41s
Fix the issue of some timer instances not being closed, resulting i… Doxygen Documentation Deployment #333: Commit 6321891 pushed by mohanchen
August 9, 2024 13:38 1m 22s develop
develop
August 9, 2024 13:38 1m 22s
Fix: delete the unexpected debug info during scf (#4936) Doxygen Documentation Deployment #332: Commit 0b247f3 pushed by mohanchen
August 9, 2024 09:53 3m 30s develop
develop
August 9, 2024 09:53 3m 30s
fix bug (#4933) Doxygen Documentation Deployment #331: Commit 24e7ba6 pushed by mohanchen
August 9, 2024 08:56 3m 34s develop
develop
August 9, 2024 08:56 3m 34s
fix bug due to forgotten fix_gamma in writing eband terms (#4934) Doxygen Documentation Deployment #330: Commit e365ce5 pushed by mohanchen
August 9, 2024 07:43 7m 22s develop
develop
August 9, 2024 07:43 7m 22s
fix bug. (#4932) Doxygen Documentation Deployment #329: Commit 919b58d pushed by mohanchen
August 9, 2024 07:42 1m 11s develop
develop
August 9, 2024 07:42 1m 11s
change hsolver-lip call manner (#4931) Doxygen Documentation Deployment #328: Commit 943ced3 pushed by mohanchen
August 9, 2024 07:21 7m 59s develop
develop
August 9, 2024 07:21 7m 59s
Refactor: change hsolver_lcao call manner (#4929) Doxygen Documentation Deployment #327: Commit c304e0d pushed by mohanchen
August 9, 2024 07:20 1m 20s develop
develop
August 9, 2024 07:20 1m 20s
Refactor: Relate to PEXSI-related changes caused by refactor #4767 (#… Doxygen Documentation Deployment #326: Commit 819bc15 pushed by mohanchen
August 9, 2024 01:33 7m 51s develop
develop
August 9, 2024 01:33 7m 51s
Refactor: remove function mult_psi_DM and mult_psi_DM_new (#4926) Doxygen Documentation Deployment #325: Commit 969f643 pushed by mohanchen
August 9, 2024 01:32 1m 27s develop
develop
August 9, 2024 01:32 1m 27s
Continue to move the deepks output files into the OUT folder (#4924) Doxygen Documentation Deployment #324: Commit fddcdda pushed by mohanchen
August 8, 2024 14:16 7m 45s develop
develop
August 8, 2024 14:16 7m 45s
Doc: real spherical harmonics and basis ordering clarified (#4922) Doxygen Documentation Deployment #323: Commit 4318ae0 pushed by mohanchen
August 8, 2024 12:49 3m 30s develop
develop
August 8, 2024 12:49 3m 30s
Revert "Move the cal_nnrg file and modify the variable length. (#4886… Doxygen Documentation Deployment #322: Commit 5e0406f pushed by mohanchen
August 8, 2024 12:01 3m 50s develop
develop
August 8, 2024 12:01 3m 50s
remove the heritance of HSolverLR (#4917) Doxygen Documentation Deployment #321: Commit fb02c31 pushed by mohanchen
August 8, 2024 08:31 7m 17s develop
develop
August 8, 2024 08:31 7m 17s
Refactor: remove do_after_converge (#4910) Doxygen Documentation Deployment #320: Commit 28a1e7f pushed by mohanchen
August 8, 2024 08:31 1m 3s develop
develop
August 8, 2024 08:31 1m 3s
Move the cal_nnrg file and modify the variable length. (#4886) Doxygen Documentation Deployment #319: Commit fa32970 pushed by mohanchen
August 8, 2024 04:56 3m 40s develop
develop
August 8, 2024 04:56 3m 40s
Feature: enable SCF can converge if SCF reach a chosen energy thresho… Doxygen Documentation Deployment #318: Commit 1bea224 pushed by mohanchen
August 8, 2024 01:53 5m 0s develop
develop
August 8, 2024 01:53 5m 0s
Refactor: merge after_scf (#4889) Doxygen Documentation Deployment #317: Commit c800e28 pushed by mohanchen
August 8, 2024 01:45 7m 54s develop
develop
August 8, 2024 01:45 7m 54s
Fix: avoid the redundant file-reading and remove the useless output i… Doxygen Documentation Deployment #316: Commit afccdb3 pushed by mohanchen
August 8, 2024 01:44 56s develop
develop
August 8, 2024 01:44 56s
Fix: correct the behavior of profile1d function in cube_manipulator.p… Doxygen Documentation Deployment #315: Commit 8421183 pushed by mohanchen
August 8, 2024 01:37 3m 23s develop
develop
August 8, 2024 01:37 3m 23s
fix add_HexxR bug in nspin=4 (#4893) Doxygen Documentation Deployment #314: Commit 52462a7 pushed by mohanchen
August 7, 2024 09:58 7m 29s develop
develop
August 7, 2024 09:58 7m 29s
Refactor: add cal_becp-like example for radial projector-involving … Doxygen Documentation Deployment #313: Commit 58eed06 pushed by mohanchen
August 7, 2024 09:57 1m 30s develop
develop
August 7, 2024 09:57 1m 30s
fix: wrong when use absolute path in STRU (#4881) Doxygen Documentation Deployment #312: Commit 9f55e3a pushed by mohanchen
August 6, 2024 11:38 4m 1s develop
develop
August 6, 2024 11:38 4m 1s
Feature: (for development) support general realspace projection onto … Doxygen Documentation Deployment #311: Commit d2d5c56 pushed by mohanchen
August 5, 2024 13:59 3m 33s develop
develop
August 5, 2024 13:59 3m 33s
Refactor: Add heterogeneous parallel code for the stress loc module. … Doxygen Documentation Deployment #310: Commit d893fda pushed by mohanchen
August 5, 2024 08:50 8m 1s develop
develop
August 5, 2024 08:50 8m 1s