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Feature: LR-TDDFT support reading fxc from file or calculating fxc by a specified charge file Integration Test and Unit Test #10398: Pull request #5393 synchronize by maki49
7m 48s maki49:init_fxc
maki49:init_fxc
7m 48s
Feature: LR-TDDFT support reading fxc from file or calculating fxc by a specified charge file Integration Test and Unit Test #10397: Pull request #5393 opened by maki49
8m 24s maki49:init_fxc
maki49:init_fxc
8m 24s
Feature: build-in DFTD3 parameters Integration Test and Unit Test #10396: Pull request #5378 synchronize by kirk0830
1h 39m 40s kirk0830:extended-dftd3
kirk0830:extended-dftd3
1h 39m 40s
Fix: disable four rarely used functionals which involves the laplacian of rho Integration Test and Unit Test #10395: Pull request #5392 opened by kirk0830
1h 37m 47s kirk0830:off-mgga-lapl
kirk0830:off-mgga-lapl
1h 37m 47s
Fix: disable the XC in LibXC in which nonlocal dispersion correction is required Integration Test and Unit Test #10394: Pull request #5391 opened by kirk0830
1h 39m 45s kirk0830:off-nloc-vdw-xc
kirk0830:off-nloc-vdw-xc
1h 39m 45s
Feature: change the default value of ecutwfc based on basis_type Integration Test and Unit Test #10393: Pull request #5390 opened by WHUweiqingzhou
2h 12m 14s WHUweiqingzhou:ecut
WHUweiqingzhou:ecut
2h 12m 14s
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 #10392: Pull request #5325 synchronize by mohanchen
1h 33m 12s JGHan7:rdmft_PR
JGHan7:rdmft_PR
1h 33m 12s
Feature: build-in DFTD3 parameters Integration Test and Unit Test #10391: Pull request #5378 synchronize by kirk0830
36m 0s kirk0830:extended-dftd3
kirk0830:extended-dftd3
36m 0s
Fix: widen the range of support on STRU file of Molden interface Integration Test and Unit Test #10390: Pull request #5388 opened by kirk0830
59m 4s kirk0830:fix-molden-stru
kirk0830:fix-molden-stru
59m 4s
Feature: build-in DFTD3 parameters Integration Test and Unit Test #10389: Pull request #5378 synchronize by kirk0830
35m 4s kirk0830:extended-dftd3
kirk0830:extended-dftd3
35m 4s
Feature: build-in DFTD3 parameters Integration Test and Unit Test #10388: Pull request #5378 synchronize by kirk0830
1m 51s kirk0830:extended-dftd3
kirk0830:extended-dftd3
1m 51s
Feature: build-in DFTD3 parameters Integration Test and Unit Test #10387: Pull request #5378 synchronize by pre-commit-ci-lite bot
36m 17s kirk0830:extended-dftd3
kirk0830:extended-dftd3
36m 17s
Feature: build-in DFTD3 parameters Integration Test and Unit Test #10386: Pull request #5378 synchronize by kirk0830
46m 34s kirk0830:extended-dftd3
kirk0830:extended-dftd3
46m 34s
Feature: build-in DFTD3 parameters Integration Test and Unit Test #10385: Pull request #5378 synchronize by kirk0830
30s kirk0830:extended-dftd3
kirk0830:extended-dftd3
30s
Feature: build-in DFTD3 parameters Integration Test and Unit Test #10384: Pull request #5378 synchronize by kirk0830
8m 13s kirk0830:extended-dftd3
kirk0830:extended-dftd3
8m 13s
Feature: build-in DFTD3 parameters Integration Test and Unit Test #10383: Pull request #5378 synchronize by kirk0830
6m 32s kirk0830:extended-dftd3
kirk0830:extended-dftd3
6m 32s
Docs: add the docs about DeePTB Integration Test and Unit Test #10382: Pull request #5386 opened by WHUweiqingzhou
36m 0s WHUweiqingzhou:deeptb
WHUweiqingzhou:deeptb
36m 0s
Docs: update the docs about DeePKS Integration Test and Unit Test #10381: Pull request #5385 synchronize by WHUweiqingzhou
36m 5s WHUweiqingzhou:deepks
WHUweiqingzhou:deepks
36m 5s
Docs: update the docs about DeePKS Integration Test and Unit Test #10380: Pull request #5385 opened by WHUweiqingzhou
3m 28s WHUweiqingzhou:deepks
WHUweiqingzhou:deepks
3m 28s
Test: unit test for read/write_cube Integration Test and Unit Test #10379: Pull request #5384 opened by maki49
35m 57s maki49:develop
maki49:develop
35m 57s
Feature: build-in DFTD3 parameters Integration Test and Unit Test #10377: Pull request #5378 reopened by kirk0830
3s kirk0830:extended-dftd3
kirk0830:extended-dftd3
3s
Feature: build-in DFTD3 parameters Integration Test and Unit Test #10378: Pull request #5378 synchronize by kirk0830
36m 7s kirk0830:extended-dftd3
kirk0830:extended-dftd3
36m 7s
Docs: Add Chinese wiki page link to README Integration Test and Unit Test #10376: Pull request #5382 synchronize by Cstandardlib
1h 7m 12s Cstandardlib:docs/readme-chinese-page
Cstandardlib:docs/readme-chinese-page
1h 7m 12s
Docs: Add Chinese wiki page link to README Integration Test and Unit Test #10375: Pull request #5382 opened by Cstandardlib
1m 2s Cstandardlib:docs/readme-chinese-page
Cstandardlib:docs/readme-chinese-page
1m 2s
Fix&Refactor: soc force/stress error for LCAO code, refactor the force/stress code into operator Integration Test and Unit Test #10374: Pull request #5381 synchronize by pre-commit-ci-lite bot
36m 5s dyzheng:lcao_fs_soc
dyzheng:lcao_fs_soc
36m 5s
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