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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 #10804: Pull request #5325 synchronize by JGHan7
1h 17m 41s JGHan7:rdmft_PR
JGHan7:rdmft_PR
1h 17m 41s
Update mult_psi_dmr.cpp Integration Test and Unit Test #10803: Pull request #5552 opened by mohanchen
1h 59m 40s mohanchen-patch-9
mohanchen-patch-9
1h 59m 40s
Update init_orb.cpp Integration Test and Unit Test #10802: Pull request #5551 opened by mohanchen
1h 29m 37s mohanchen-patch-8
mohanchen-patch-8
1h 29m 37s
Update gint_gamma.h Integration Test and Unit Test #10801: Pull request #5550 opened by mohanchen
1h 3m 4s mohanchen-patch-7
mohanchen-patch-7
1h 3m 4s
feature: parallel solve subspace diagonalization in dav_subspace Integration Test and Unit Test #10800: Pull request #5549 synchronize by pre-commit-ci-lite bot
43m 21s pxlxingliang:diag
pxlxingliang:diag
43m 21s
feature: parallel solve subspace diagonalization in dav_subspace Integration Test and Unit Test #10799: Pull request #5549 opened by pxlxingliang
39m 7s pxlxingliang:diag
pxlxingliang:diag
39m 7s
Refactor: remove init_after_vc Integration Test and Unit Test #10798: Pull request #5547 opened by YuLiu98
1h 31m 56s YuLiu98:refactor
YuLiu98:refactor
1h 31m 56s
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 #10796: Pull request #5325 synchronize by JGHan7
1h 33m 16s JGHan7:rdmft_PR
JGHan7:rdmft_PR
1h 33m 16s
Refactor atom_input and unify the fake atom data structure of grid and atom_input Integration Test and Unit Test #10795: Pull request #5546 synchronize by pre-commit-ci-lite bot
34m 37s goodchong:neighbor_atom
goodchong:neighbor_atom
34m 37s
Refactor atom_input and unify the fake atom data structure of grid and atom_input Integration Test and Unit Test #10794: Pull request #5546 synchronize by goodchong
41m 11s goodchong:neighbor_atom
goodchong:neighbor_atom
41m 11s
Refactor atom_input and unify the fake atom data structure of grid and atom_input Integration Test and Unit Test #10793: Pull request #5546 opened by goodchong
54m 18s goodchong:neighbor_atom
goodchong:neighbor_atom
54m 18s
fix bug: change Mixing_Data::length from int to size_t Integration Test and Unit Test #10792: Pull request #5545 synchronize by linpeize
38m 42s linpeize:Mixing_Data_length_size_t
linpeize:Mixing_Data_length_size_t
38m 42s
Test: delete threshold files in the examples with warnings and update the result.ref files Integration Test and Unit Test #10790: Pull request #5402 synchronize by WHUweiqingzhou
2h 33m 32s WHUweiqingzhou:test
WHUweiqingzhou:test
2h 33m 32s
Refactor: replace raw pointers to vector in atom_spec.h Integration Test and Unit Test #10789: Pull request #5521 synchronize by pre-commit-ci-lite bot
2h 5m 9s dyzheng:refactor_spin
dyzheng:refactor_spin
2h 5m 9s
Refactor: move wfinit to module_psi Integration Test and Unit Test #10788: Pull request #5544 opened by haozhihan
1h 30m 7s haozhihan:guess
haozhihan:guess
1h 30m 7s
A noncollinear functional ensemble based on multi-collinear approach Integration Test and Unit Test #10787: Pull request #5542 synchronize by YuleZhang936
1h 57m 16s YuleZhang936:mc
YuleZhang936:mc
1h 57m 16s
Refactor: refactor paw code in hsolver-pw Integration Test and Unit Test #10786: Pull request #5543 synchronize by haozhihan
1h 23m 15s haozhihan:hsolver-pw
haozhihan:hsolver-pw
1h 23m 15s
Refactor: refactor paw code in hsolver-pw Integration Test and Unit Test #10785: Pull request #5543 synchronize by haozhihan
12m 51s haozhihan:hsolver-pw
haozhihan:hsolver-pw
12m 51s
Refactor: refactor paw code in hsolver-pw Integration Test and Unit Test #10784: Pull request #5543 opened by haozhihan
21m 33s haozhihan:hsolver-pw
haozhihan:hsolver-pw
21m 33s
A noncollinear functional ensemble based on multi-collinear approach Integration Test and Unit Test #10783: Pull request #5542 synchronize by jinzx10
48m 31s YuleZhang936:mc
YuleZhang936:mc
48m 31s
Fix: recover the use of -1 value of out_chg Integration Test and Unit Test #10782: Pull request #5540 opened by kirk0830
2h 27m 42s kirk0830-patch-1
kirk0830-patch-1
2h 27m 42s
Refactor: replace raw pointers to vector in atom_spec.h Integration Test and Unit Test #10780: Pull request #5521 synchronize by dyzheng
2h 24m 43s dyzheng:refactor_spin
dyzheng:refactor_spin
2h 24m 43s
Test: delete threshold files in the examples with warnings and update the result.ref files Integration Test and Unit Test #10779: Pull request #5402 synchronize by WHUweiqingzhou
1h 48m 49s WHUweiqingzhou:test
WHUweiqingzhou:test
1h 48m 49s
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10778: Pull request #5467 synchronize by 19hello
1h 36m 46s 19hello:mybfgs
19hello:mybfgs
1h 36m 46s
Test: correct the INPUT of examples/scf/lcao_Cu and the reference of examples/bsse/water Integration Test and Unit Test #10777: Pull request #5536 synchronize by kirk0830
1h 25m 47s pxlxingliang:example
pxlxingliang:example
1h 25m 47s