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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 #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
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10776: Pull request #5467 synchronize by 19hello
31m 39s 19hello:mybfgs
19hello:mybfgs
31m 39s
Implement a new BFGS optimizer, used for geometry relaxation Integration Test and Unit Test #10775: Pull request #5467 synchronize by 19hello
6m 28s 19hello:mybfgs
19hello:mybfgs
6m 28s
Refactor: replace raw pointers to vector in atom_spec.h Integration Test and Unit Test #10774: Pull request #5521 synchronize by dyzheng
1h 6m 37s dyzheng:refactor_spin
dyzheng:refactor_spin
1h 6m 37s
Test: delete threshold files in the examples with warnings and update the result.ref files Integration Test and Unit Test #10773: Pull request #5402 synchronize by WHUweiqingzhou
1h 13m 45s WHUweiqingzhou:test
WHUweiqingzhou:test
1h 13m 45s
Fix: support lmax of orbital 8,9 Integration Test and Unit Test #10772: Pull request #5528 synchronize by QuantumMisaka
37m 12s QuantumMisaka:lmax9
QuantumMisaka:lmax9
37m 12s
Test: correct the INPUT of examples/scf/lcao_Cu and the reference of examples/bsse/water Integration Test and Unit Test #10771: Pull request #5536 opened by pxlxingliang
35m 13s pxlxingliang:example
pxlxingliang:example
35m 13s
Refactor: replace raw pointers to vector in atom_spec.h Integration Test and Unit Test #10770: Pull request #5521 synchronize by pre-commit-ci-lite bot
2h 28m 42s dyzheng:refactor_spin
dyzheng:refactor_spin
2h 28m 42s