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Refactor: remove lcao_fun.cpp (#5481)
Doxygen Documentation Deployment #572: Commit b0503e4 pushed by mohanchen
November 14, 2024 15:18 3m 53s develop
November 14, 2024 15:18 3m 53s
Additional explanations to the example files and fixing result.ref fi…
Doxygen Documentation Deployment #571: Commit d3aa439 pushed by mohanchen
November 14, 2024 13:35 9m 11s develop
November 14, 2024 13:35 9m 11s
Refactor: move cal_edm_tddft to module_dm (#5485)
Doxygen Documentation Deployment #570: Commit a95eb5b pushed by mohanchen
November 14, 2024 13:24 11m 28s develop
November 14, 2024 13:24 11m 28s
Fix: compile cuda without openmp (#5488)
Doxygen Documentation Deployment #569: Commit 8e8cad2 pushed by mohanchen
November 14, 2024 13:23 1m 8s develop
November 14, 2024 13:23 1m 8s
Refactor: move io_npz to ModuleIO (#5475)
Doxygen Documentation Deployment #568: Commit dcff74d pushed by mohanchen
November 13, 2024 12:50 1h 11m 53s develop
November 13, 2024 12:50 1h 11m 53s
update code format of Exx_LIP (#5473)
Doxygen Documentation Deployment #567: Commit 3354927 pushed by mohanchen
November 13, 2024 12:49 1m 4s develop
November 13, 2024 12:49 1m 4s
Add gpu recorder (#5471)
Doxygen Documentation Deployment #566: Commit 890fe37 pushed by mohanchen
November 13, 2024 09:27 2h 12m 52s develop
November 13, 2024 09:27 2h 12m 52s
Fix: let the coverage test pass without checking for its correctness …
Doxygen Documentation Deployment #565: Commit a2fdb95 pushed by mohanchen
November 13, 2024 06:01 2h 37m 11s develop
November 13, 2024 06:01 2h 37m 11s
Fix the repeated initial guess and use diagonal precondition in LR::H…
Doxygen Documentation Deployment #564: Commit 4f1be57 pushed by mohanchen
November 13, 2024 06:01 31s develop
November 13, 2024 06:01 31s
Fix: Compiling error for ROCM (#5464)
Doxygen Documentation Deployment #563: Commit 9718c41 pushed by mohanchen
November 13, 2024 06:00 59s develop
November 13, 2024 06:00 59s
Refactor: remove nscf() (#5455)
Doxygen Documentation Deployment #562: Commit 9cc7f89 pushed by mohanchen
November 13, 2024 05:59 1m 32s develop
November 13, 2024 05:59 1m 32s
Perf: minor optimization in module_lr (#5435)
Doxygen Documentation Deployment #561: Commit 2a40059 pushed by mohanchen
November 13, 2024 05:55 3m 43s develop
November 13, 2024 05:55 3m 43s
Toolchain update: use new intel-OneAPI compiler as default (#5458)
Doxygen Documentation Deployment #560: Commit 05de419 pushed by WHUweiqingzhou
November 13, 2024 05:54 1m 18s develop
November 13, 2024 05:54 1m 18s
Feature: change the default value of printe from 100 to `scf_nmax…
Doxygen Documentation Deployment #559: Commit 22b85f9 pushed by dyzheng
November 13, 2024 05:52 2m 8s develop
November 13, 2024 05:52 2m 8s
Refactor:Replace the current fft with templates and polymorphism (#5410)
Doxygen Documentation Deployment #558: Commit 7c46674 pushed by mohanchen
November 12, 2024 04:02 2h 4m 35s develop
November 12, 2024 04:02 2h 4m 35s
Fix R-index mismatch in lr_util_hcontainer (#5456)
Doxygen Documentation Deployment #557: Commit 8d6e593 pushed by mohanchen
November 12, 2024 03:51 11m 5s develop
November 12, 2024 03:51 11m 5s
Code: divide charge_mixing.cpp into some files (#5427)
Doxygen Documentation Deployment #556: Commit 2f15c55 pushed by mohanchen
November 12, 2024 03:49 1m 11s develop
November 12, 2024 03:49 1m 11s
Add function to support reading cereal binary format HexxR files. (#5…
Doxygen Documentation Deployment #555: Commit 42492ee pushed by mohanchen
November 12, 2024 03:48 1m 47s develop
November 12, 2024 03:48 1m 47s
update toolchain LibComm sha256 (#5454)
Doxygen Documentation Deployment #554: Commit 67e6cbb pushed by mohanchen
November 12, 2024 03:45 2m 51s develop
November 12, 2024 03:45 2m 51s
fixing the sigma value in example input files and adding comments to …
Doxygen Documentation Deployment #553: Commit 4835dd0 pushed by mohanchen
November 12, 2024 03:36 9m 10s develop
November 12, 2024 03:36 9m 10s
Refactor: runner() of esolver_ks (#5445)
Doxygen Documentation Deployment #552: Commit c03c879 pushed by mohanchen
November 11, 2024 08:33 23m 15s develop
November 11, 2024 08:33 23m 15s
fix dsygvx (#5443)
Doxygen Documentation Deployment #551: Commit 32ba8d4 pushed by mohanchen
November 10, 2024 02:54 8m 33s develop
November 10, 2024 02:54 8m 33s
Fix blas_connector.cpp warnings and math_kernel_op.cu warnings (#5444)
Doxygen Documentation Deployment #550: Commit cead7ce pushed by mohanchen
November 8, 2024 17:22 3m 41s develop
November 8, 2024 17:22 3m 41s
fix the conficit between mixing_restart and scf_os_stop (#5440)
Doxygen Documentation Deployment #549: Commit b63aad4 pushed by dyzheng
November 8, 2024 08:34 34m 29s develop
November 8, 2024 08:34 34m 29s
Fix: potential segmentation fault in DFTU force&stress (#5439)
Doxygen Documentation Deployment #548: Commit 2d3bf57 pushed by WHUweiqingzhou
November 8, 2024 07:32 3m 43s develop
November 8, 2024 07:32 3m 43s