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Fix the repeated initial guess and use diagonal precondition in LR::HSolver; Fix a segfault and non-hermitian in multi-k op_lr_exx Integration Test and Unit Test #10598: Pull request #5468 opened by maki49
33m 22s maki49:dav-exmine
maki49:dav-exmine
33m 22s
Refactor: remove nscf() Integration Test and Unit Test #10597: Pull request #5455 synchronize by YuLiu98
4h 9m 46s YuLiu98:refactor
YuLiu98:refactor
4h 9m 46s
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10596: Pull request #5467 opened by 19hello
4h 43m 42s 19hello:mybfgs
19hello:mybfgs
4h 43m 42s
Perf: minor optimization in module_lr Integration Test and Unit Test #10594: Pull request #5435 reopened by maki49
4s maki49:develop
maki49:develop
4s
Perf: minor optimization in module_lr Integration Test and Unit Test #10595: Pull request #5435 synchronize by maki49
5h 26m 37s maki49:develop
maki49:develop
5h 26m 37s
Perf: minor optimization in module_lr Integration Test and Unit Test #10593: Pull request #5435 reopened by maki49
4m 19s maki49:develop
maki49:develop
4m 19s
Fix: Compiling error for ROCM Integration Test and Unit Test #10592: Pull request #5464 opened by dyzheng
5h 22m 38s dyzheng:fix_rocm
dyzheng:fix_rocm
5h 22m 38s
Feature: change the default value of printe from 100 to scf_nmax Integration Test and Unit Test #10591: Pull request #5462 opened by WHUweiqingzhou
5h 54m 18s WHUweiqingzhou:printe
WHUweiqingzhou:printe
5h 54m 18s
Toolchain update: use new intel-OneAPI compiler as default Integration Test and Unit Test #10590: Pull request #5458 synchronize by QuantumMisaka
5h 57m 17s QuantumMisaka:toolchain-ifx
QuantumMisaka:toolchain-ifx
5h 57m 17s
Toolchain update: use new intel-OneAPI compiler as default Integration Test and Unit Test #10589: Pull request #5458 synchronize by QuantumMisaka
32s QuantumMisaka:toolchain-ifx
QuantumMisaka:toolchain-ifx
32s
Feature: multicollinear LDA & GGA Integration Test and Unit Test #10588: Pull request #5460 synchronize by jinzx10
5h 38m 32s jinzx10:mclda
jinzx10:mclda
5h 38m 32s
Feature: multicollinear LDA & GGA Integration Test and Unit Test #10587: Pull request #5460 synchronize by jinzx10
38m 33s jinzx10:mclda
jinzx10:mclda
38m 33s
Feature: multicollinear LDA & GGA Integration Test and Unit Test #10586: Pull request #5460 synchronize by jinzx10
2m 33s jinzx10:mclda
jinzx10:mclda
2m 33s
Feature: multicollinear LDA & GGA Integration Test and Unit Test #10585: Pull request #5460 opened by jinzx10
12s jinzx10:mclda
jinzx10:mclda
12s
Toolchain update: use new intel-OneAPI compiler as default Integration Test and Unit Test #10584: Pull request #5458 synchronize by QuantumMisaka
1h 24m 14s QuantumMisaka:toolchain-ifx
QuantumMisaka:toolchain-ifx
1h 24m 14s
Toolchain update: use new intel-OneAPI compiler as default Integration Test and Unit Test #10583: Pull request #5458 synchronize by QuantumMisaka
3h 12m 1s QuantumMisaka:toolchain-ifx
QuantumMisaka:toolchain-ifx
3h 12m 1s
Toolchain update: use new intel-OneAPI compiler as default Integration Test and Unit Test #10582: Pull request #5458 opened by QuantumMisaka
35m 29s QuantumMisaka:toolchain-ifx
QuantumMisaka:toolchain-ifx
35m 29s
Fix R-index mismatch in lr_util_hcontainer Integration Test and Unit Test #10581: Pull request #5456 synchronize by maki49
35m 33s maki49:Rindex
maki49:Rindex
35m 33s
Fix R-index mismatch in lr_util_hcontainer Integration Test and Unit Test #10580: Pull request #5456 synchronize by pre-commit-ci-lite bot
6m 18s maki49:Rindex
maki49:Rindex
6m 18s
Fix R-index mismatch in lr_util_hcontainer Integration Test and Unit Test #10579: Pull request #5456 synchronize by maki49
36m 52s maki49:Rindex
maki49:Rindex
36m 52s
Fix R-index mismatch in lr_util_hcontainer Integration Test and Unit Test #10578: Pull request #5456 opened by maki49
14m 36s maki49:Rindex
maki49:Rindex
14m 36s
Refactor: remove nscf() Integration Test and Unit Test #10577: Pull request #5455 opened by YuLiu98
1h 10m 24s YuLiu98:refactor
YuLiu98:refactor
1h 10m 24s
Refactor:Replace the current fft with templates and polymorphism Integration Test and Unit Test #10576: Pull request #5410 synchronize by pre-commit-ci-lite bot
35m 51s A-006:fft1
A-006:fft1
35m 51s
Refactor:Replace the current fft with templates and polymorphism Integration Test and Unit Test #10575: Pull request #5410 synchronize by A-006
55m 7s A-006:fft1
A-006:fft1
55m 7s
Refactor:Replace the current fft with templates and polymorphism Integration Test and Unit Test #10574: Pull request #5410 synchronize by A-006
49m 36s A-006:fft1
A-006:fft1
49m 36s