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Refactor: Unify the interfaces of Pulay terms of force and stress Integration Test and Unit Test #9899: Pull request #5130 synchronize by maki49
September 21, 2024 11:09 3m 22s maki49:pulay_fs
maki49:pulay_fs
September 21, 2024 11:09 3m 22s
Feature: Support outputting real space wave functions in Gaussian CUBE format Integration Test and Unit Test #9898: Pull request #5140 synchronize by AsTonyshment
September 21, 2024 05:49 35m 17s AsTonyshment:pchg_wf_param
AsTonyshment:pchg_wf_param
September 21, 2024 05:49 35m 17s
Refactor: refactor hsolver-lcao func Integration Test and Unit Test #9897: Pull request #5148 synchronize by haozhihan
September 21, 2024 05:10 35m 27s haozhihan:hsolver_pw
haozhihan:hsolver_pw
September 21, 2024 05:10 35m 27s
Refactor: remove useless warning for dp Integration Test and Unit Test #9896: Pull request #5153 opened by YuLiu98
September 21, 2024 02:18 41m 1s YuLiu98:dp
YuLiu98:dp
September 21, 2024 02:18 41m 1s
Fix: If the number of NAOs for an angular momentum is 0, filter the NAOs in exx Integration Test and Unit Test #9895: Pull request #5152 opened by PeizeLin
September 20, 2024 19:54 1h 59m 53s PeizeLin:filter_0_NAO
PeizeLin:filter_0_NAO
September 20, 2024 19:54 1h 59m 53s
Refactor: add namespace XC_Functional_Libxc Integration Test and Unit Test #9894: Pull request #5151 opened by PeizeLin
September 20, 2024 19:52 1h 46m 33s PeizeLin:refactor_libxc
PeizeLin:refactor_libxc
September 20, 2024 19:52 1h 46m 33s
Refactor ModuleIO::read/write_cube() Integration Test and Unit Test #9893: Pull request #5150 opened by PeizeLin
September 20, 2024 19:50 54m 0s PeizeLin:io_cube
PeizeLin:io_cube
September 20, 2024 19:50 54m 0s
refactor ModuleIO::read/write_cube() Integration Test and Unit Test #9892: Pull request #5149 opened by PeizeLin
September 20, 2024 19:33 35m 11s PeizeLin:io_cube
PeizeLin:io_cube
September 20, 2024 19:33 35m 11s
Refactor ModuleIO::read/write_cube() Integration Test and Unit Test #9891: Pull request #5109 synchronize by PeizeLin
September 20, 2024 14:50 3h 17m 31s PeizeLin:io_cube
PeizeLin:io_cube
September 20, 2024 14:50 3h 17m 31s
Fix: If the number of NAOs for an angular momentum is 0, filter the NAOs in exx Integration Test and Unit Test #9890: Pull request #5092 synchronize by PeizeLin
September 20, 2024 14:38 2h 49m 37s PeizeLin:filter_0_NAO
PeizeLin:filter_0_NAO
September 20, 2024 14:38 2h 49m 37s
Refactor: move functions with libxc in class XC_Functional to namespace XC_Functional_Libxc Integration Test and Unit Test #9889: Pull request #5064 synchronize by PeizeLin
September 20, 2024 14:31 2h 20m 16s PeizeLin:refactor_libxc
PeizeLin:refactor_libxc
September 20, 2024 14:31 2h 20m 16s
Refactor: move functions with libxc in class XC_Functional to namespace XC_Functional_Libxc Integration Test and Unit Test #9888: Pull request #5064 synchronize by PeizeLin
September 20, 2024 14:12 18m 37s PeizeLin:refactor_libxc
PeizeLin:refactor_libxc
September 20, 2024 14:12 18m 37s
Feature: Calculate and output electron localization function (ELF) with KSDFT and OFDFT Integration Test and Unit Test #9887: Pull request #5139 synchronize by pre-commit-ci-lite bot
September 20, 2024 13:33 1h 54m 0s sunliang98:elf
sunliang98:elf
September 20, 2024 13:33 1h 54m 0s
Refactor: refactor hsolver-lcao func Integration Test and Unit Test #9886: Pull request #5148 opened by haozhihan
September 20, 2024 12:58 1h 54m 29s haozhihan:hsolver_pw
haozhihan:hsolver_pw
September 20, 2024 12:58 1h 54m 29s
Feature: Support outputting real space wave functions in Gaussian CUBE format Integration Test and Unit Test #9885: Pull request #5140 synchronize by AsTonyshment
September 20, 2024 11:42 2h 35m 11s AsTonyshment:pchg_wf_param
AsTonyshment:pchg_wf_param
September 20, 2024 11:42 2h 35m 11s
Feature: Calculate and output electron localization function (ELF) with KSDFT and OFDFT Integration Test and Unit Test #9884: Pull request #5139 synchronize by sunliang98
September 20, 2024 11:11 2h 20m 56s sunliang98:elf
sunliang98:elf
September 20, 2024 11:11 2h 20m 56s
Feature: Calculate and output electron localization function (ELF) with KSDFT and OFDFT Integration Test and Unit Test #9883: Pull request #5139 synchronize by sunliang98
September 20, 2024 10:46 25m 53s sunliang98:elf
sunliang98:elf
September 20, 2024 10:46 25m 53s
Fix: support kpar > 1 case to write rhog Integration Test and Unit Test #9882: Pull request #5145 synchronize by Qianruipku
September 20, 2024 10:05 2h 39m 25s kirk0830:fix-write-rhog
kirk0830:fix-write-rhog
September 20, 2024 10:05 2h 39m 25s
Refactor: add CalAtomsInfo to modify parameter Integration Test and Unit Test #9881: Pull request #5132 synchronize by Qianruipku
September 20, 2024 10:05 2h 5m 55s Qianruipku:hotfix
Qianruipku:hotfix
September 20, 2024 10:05 2h 5m 55s
Feature: Calculate and output electron localization function (ELF) with KSDFT and OFDFT Integration Test and Unit Test #9880: Pull request #5139 synchronize by sunliang98
September 20, 2024 09:41 1h 4m 23s sunliang98:elf
sunliang98:elf
September 20, 2024 09:41 1h 4m 23s
Perf&Refactor: optimize the performanace of psi_initializer with omp Integration Test and Unit Test #9879: Pull request #5146 synchronize by kirk0830
September 20, 2024 09:26 49m 21s kirk0830:psiinit-omp-1
kirk0830:psiinit-omp-1
September 20, 2024 09:26 49m 21s
Perf&Refactor: optimize the performanace of psi_initializer with omp Integration Test and Unit Test #9878: Pull request #5146 synchronize by kirk0830
September 20, 2024 08:58 28m 38s kirk0830:psiinit-omp-1
kirk0830:psiinit-omp-1
September 20, 2024 08:58 28m 38s
Perf&Refactor: optimize the performanace of psi_initializer with omp Integration Test and Unit Test #9877: Pull request #5146 synchronize by kirk0830
September 20, 2024 08:44 14m 10s kirk0830:psiinit-omp-1
kirk0830:psiinit-omp-1
September 20, 2024 08:44 14m 10s
Fix: support kpar > 1 case to write rhog Integration Test and Unit Test #9876: Pull request #5145 opened by kirk0830
September 20, 2024 08:37 1h 28m 36s kirk0830:fix-write-rhog
kirk0830:fix-write-rhog
September 20, 2024 08:37 1h 28m 36s
Toolchain 202403 Integration Test and Unit Test #9875: Pull request #5144 opened by QuantumMisaka
September 20, 2024 08:26 1h 4m 54s QuantumMisaka:202403
QuantumMisaka:202403
September 20, 2024 08:26 1h 4m 54s