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Refactor: move wf_atomic and wavefunc files Integration Test and Unit Test #10897: Pull request #5613 opened by haozhihan
1h 57m 34s haozhihan:movefile
haozhihan:movefile
1h 57m 34s
Feature: output mat of <phi|r|phi> with get_S Integration Test and Unit Test #10896: Pull request #5611 opened by dyzheng
1h 26m 20s dyzheng:out_mat_r
dyzheng:out_mat_r
1h 26m 20s
Refactor: remove #include hsolver.h Integration Test and Unit Test #10895: Pull request #5609 synchronize by haozhihan
1h 3m 53s haozhihan:move-file
haozhihan:move-file
1h 3m 53s
Refactor: remove #include hsolver.h Integration Test and Unit Test #10894: Pull request #5609 opened by haozhihan
7m 53s haozhihan:move-file
haozhihan:move-file
7m 53s
Refactor: Remove cal_ux from UnitCell. Integration Test and Unit Test #10893: Pull request #5608 opened by sunliang98
1h 15m 34s sunliang98:cell
sunliang98:cell
1h 15m 34s
Refactor:Remove the dependency of the Psi in the FFT module Integration Test and Unit Test #10892: Pull request #5564 synchronize by A-006
44m 58s A-006:fft5
A-006:fft5
44m 58s
Build(deps): Bump codecov/codecov-action from 4 to 5 Integration Test and Unit Test #10891: Pull request #5590 synchronize by caic99
34m 57s dependabot/github_actions/codecov/codecov-action-5
dependabot/github_actions/codecov/codecov-action-5
34m 57s
Refactor: move psiinit file to hsolver folder Integration Test and Unit Test #10890: Pull request #5601 synchronize by haozhihan
1h 3m 50s haozhihan:move-psi-init
haozhihan:move-psi-init
1h 3m 50s
Refactor: move psiinit file to hsolver folder Integration Test and Unit Test #10889: Pull request #5601 synchronize by haozhihan
38m 19s haozhihan:move-psi-init
haozhihan:move-psi-init
38m 19s
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 #10888: Pull request #5325 synchronize by pre-commit-ci-lite bot
3h 29m 32s JGHan7:rdmft_PR
JGHan7:rdmft_PR
3h 29m 32s
fix stuck in out_chg Integration Test and Unit Test #10887: Pull request #5603 synchronize by Qianruipku
4h 15m 16s Qianruipku:develop
Qianruipku:develop
4h 15m 16s
fix stuck in out_chg Integration Test and Unit Test #10886: Pull request #5603 opened by Qianruipku
10s Qianruipku:develop
Qianruipku:develop
10s
update the DCU compile Integration Test and Unit Test #10885: Pull request #5563 synchronize by Qianruipku
3h 49m 32s A-006:fft6
A-006:fft6
3h 49m 32s
Build(deps): Bump codecov/codecov-action from 4 to 5 Integration Test and Unit Test #10884: Pull request #5590 synchronize by caic99
3h 56m 39s dependabot/github_actions/codecov/codecov-action-5
dependabot/github_actions/codecov/codecov-action-5
3h 56m 39s
Refactor: move psiinit file to hsolver folder Integration Test and Unit Test #10883: Pull request #5601 opened by haozhihan
4h 45m 54s haozhihan:move-psi-init
haozhihan:move-psi-init
4h 45m 54s
Refactor:Remove the dependency of the Psi in the FFT module Integration Test and Unit Test #10882: Pull request #5564 synchronize by A-006
5h 7m 19s A-006:fft5
A-006:fft5
5h 7m 19s
Refactor:Remove the dependency of the Psi in the FFT module Integration Test and Unit Test #10881: Pull request #5564 synchronize by A-006
35m 39s A-006:fft5
A-006:fft5
35m 39s
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 #10880: Pull request #5325 synchronize by JGHan7
6h 42m 8s JGHan7:rdmft_PR
JGHan7:rdmft_PR
6h 42m 8s
Refactor: split sum_stoband to sum_stoband and cal_storho in sDFT Integration Test and Unit Test #10879: Pull request #5600 opened by Qianruipku
6h 26m 15s Qianruipku:hotfix
Qianruipku:hotfix
6h 26m 15s
update the DCU compile Integration Test and Unit Test #10878: Pull request #5563 synchronize by Qianruipku
5h 21m 48s A-006:fft6
A-006:fft6
5h 21m 48s
Grid batching by adapted cut-plane Integration Test and Unit Test #10877: Pull request #5599 opened by jinzx10
6h 0m 14s jinzx10:grid_batch
jinzx10:grid_batch
6h 0m 14s
Refactor:Remove the dependency of the Psi in the FFT module Integration Test and Unit Test #10876: Pull request #5564 synchronize by A-006
2h 39m 21s A-006:fft5
A-006:fft5
2h 39m 21s
Feature: set relax_nmax=0 to enable dry run Integration Test and Unit Test #10875: Pull request #5595 synchronize by YuLiu98
6h 28m 57s YuLiu98:dry_run
YuLiu98:dry_run
6h 28m 57s
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10874: Pull request #5467 synchronize by 19hello
6h 44m 51s 19hello:mybfgs
19hello:mybfgs
6h 44m 51s
Feature: set relax_nmax=0 to enable dry run Integration Test and Unit Test #10873: Pull request #5595 opened by YuLiu98
3h 0m 40s YuLiu98:dry_run
YuLiu98:dry_run
3h 0m 40s