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Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10721: Pull request #5467 reopened by 19hello
1m 32s 19hello:mybfgs
19hello:mybfgs
1m 32s
Refactor: refactor the relevant code for psi initializer Integration Test and Unit Test #10720: Pull request #5474 synchronize by haozhihan
39m 17s haozhihan:refactor-hsolverpw
haozhihan:refactor-hsolverpw
39m 17s
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10719: Pull request #5467 synchronize by 19hello
4m 26s 19hello:mybfgs
19hello:mybfgs
4m 26s
Fix: init nonlocal beta orbitals only when necessary Integration Test and Unit Test #10718: Pull request #5511 opened by maki49
1h 9m 48s maki49:develop
maki49:develop
1h 9m 48s
Refactor: Preconditioner function library Integration Test and Unit Test #10717: Pull request #5482 reopened by maki49
51m 36s maki49:precondition
maki49:precondition
51m 36s
The PR is tested to determine if any anomalies exist. Integration Test and Unit Test #10716: Pull request #5510 synchronize by pre-commit-ci-lite bot
34m 40s develop
develop
34m 40s
The PR is tested to determine if any anomalies exist. Integration Test and Unit Test #10715: Pull request #5510 opened by jingan-181
48m 35s develop
develop
48m 35s
Refactor:Add cuda support for fft_bundle Integration Test and Unit Test #10714: Pull request #5508 synchronize by A-006
58m 53s A-006:fft4
A-006:fft4
58m 53s
Fix: provide more information on 2d process grid error message Integration Test and Unit Test #10713: Pull request #5509 opened by jinzx10
1h 4m 54s jinzx10:issue5234
jinzx10:issue5234
1h 4m 54s
add RDMFT(Reduced Density Matrix Functional Theory) code （Useful Information: for those who what to contribute codes to ABACUS, this is a good example) Integration Test and Unit Test #10712: Pull request #5325 synchronize by JGHan7
43m 30s JGHan7:rdmft_PR
JGHan7:rdmft_PR
43m 30s
Refactor:Add cuda support for fft_bundle Integration Test and Unit Test #10711: Pull request #5508 opened by A-006
45m 45s A-006:fft4
A-006:fft4
45m 45s
add RDMFT(Reduced Density Matrix Functional Theory) code （Useful Information: for those who what to contribute codes to ABACUS, this is a good example) Integration Test and Unit Test #10710: Pull request #5325 synchronize by JGHan7
42m 30s JGHan7:rdmft_PR
JGHan7:rdmft_PR
42m 30s
Tests: supplementing some tests with OPENMP check directives Integration Test and Unit Test #10709: Pull request #5504 synchronize by Cstandardlib
34m 28s Cstandardlib:tests/mixing_omp
Cstandardlib:tests/mixing_omp
34m 28s
Tests: supplementing some tests with OPENMP check directives Integration Test and Unit Test #10708: Pull request #5504 synchronize by Cstandardlib
2m 1s Cstandardlib:tests/mixing_omp
Cstandardlib:tests/mixing_omp
2m 1s
Tests: supplementing some tests with OPENMP check directives Integration Test and Unit Test #10707: Pull request #5504 synchronize by Cstandardlib
2m 52s Cstandardlib:tests/mixing_omp
Cstandardlib:tests/mixing_omp
2m 52s
Refator:Add the cuda support for the FFT_TEMP Integration Test and Unit Test #10706: Pull request #5415 synchronize by pre-commit-ci-lite bot
35m 23s A-006:fft2
A-006:fft2
35m 23s
Refator:Add the cuda support for the FFT_TEMP Integration Test and Unit Test #10705: Pull request #5415 synchronize by A-006
46m 3s A-006:fft2
A-006:fft2
46m 3s
Refactor: replace pvpr with hcontainer Integration Test and Unit Test #10704: Pull request #5490 synchronize by dzzz2001
35m 59s dzzz2001:replace-pvpr
dzzz2001:replace-pvpr
35m 59s
Refator:Add the cuda support for the FFT_TEMP Integration Test and Unit Test #10703: Pull request #5415 synchronize by A-006
36m 48s A-006:fft2
A-006:fft2
36m 48s
add RDMFT(Reduced Density Matrix Functional Theory) code （Useful Information: for those who what to contribute codes to ABACUS, this is a good example) Integration Test and Unit Test #10702: Pull request #5325 synchronize by pre-commit-ci-lite bot
36m 1s JGHan7:rdmft_PR
JGHan7:rdmft_PR
36m 1s
add RDMFT(Reduced Density Matrix Functional Theory) code （Useful Information: for those who what to contribute codes to ABACUS, this is a good example) Integration Test and Unit Test #10701: Pull request #5325 synchronize by JGHan7
4h 47m 7s JGHan7:rdmft_PR
JGHan7:rdmft_PR
4h 47m 7s
Refator:Add the cuda support for the FFT_TEMP Integration Test and Unit Test #10700: Pull request #5415 synchronize by A-006
5h 37m 13s A-006:fft2
A-006:fft2
5h 37m 13s
Refactor: Preconditioner function library Integration Test and Unit Test #10699: Pull request #5482 synchronize by maki49
8h 52m 23s maki49:precondition
maki49:precondition
8h 52m 23s
Fix: fix a bug of relax_nmax default Integration Test and Unit Test #10698: Pull request #5506 opened by WHUweiqingzhou
8h 22m 43s WHUweiqingzhou:relax
WHUweiqingzhou:relax
8h 22m 43s
Refactor: Preconditioner function library Integration Test and Unit Test #10697: Pull request #5482 synchronize by maki49
39m 17s maki49:precondition
maki49:precondition
39m 17s