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Refactor: move wf_atomic and wavefunc files (#5613)
Doxygen Documentation Deployment #639: Commit 5d8dce5 pushed by mohanchen
2m 17s develop
fix wrong nscf energy of sDFT (#5618)
Doxygen Documentation Deployment #638: Commit 0f569ff pushed by mohanchen
2m 22s develop
Feature: enable get_s for nspin=4 (#5614)
Doxygen Documentation Deployment #637: Commit 3d64446 pushed by mohanchen
1m 53s develop
Refactor: Remove cal_ux from ucell. (#5608)
Doxygen Documentation Deployment #636: Commit 93ac7e3 pushed by mohanchen
3m 38s develop
Refactor: move psiinit file to hsolver folder (#5601)
Doxygen Documentation Deployment #635: Commit 9bc8960 pushed by mohanchen
14m 47s develop
Grid batching by adapted cut-plane (#5599)
Doxygen Documentation Deployment #634: Commit 6df5c6d pushed by WHUweiqingzhou
39m 46s develop
fix stuck in out_chg (#5603)
Doxygen Documentation Deployment #632: Commit 6a98a1a pushed by WHUweiqingzhou
1m 18s develop
update the DCU compile (#5563)
Doxygen Documentation Deployment #631: Commit 0fd832e pushed by Qianruipku
1m 46s develop
Feature: set relax_nmax=0 to enable dry run (#5595)
Doxygen Documentation Deployment #630: Commit 5e94cb2 pushed by Qianruipku
1h 27m 40s develop
Refactor: remove template for get_S (#5593)
Doxygen Documentation Deployment #629: Commit df94f88 pushed by YuLiu98
3m 38s develop
Update operator_lcao.h (#5584)
Doxygen Documentation Deployment #627: Commit 0f37fe5 pushed by WHUweiqingzhou
15m 36s develop
Update overlap_new.cpp (#5581)
Doxygen Documentation Deployment #626: Commit 1fb3347 pushed by WHUweiqingzhou
1m 9s develop
Update LCAO_hamilt.hpp (#5580)
Doxygen Documentation Deployment #625: Commit 9a5c974 pushed by WHUweiqingzhou
1m 21s develop
modify docs. fix #5575 (#5588)
Doxygen Documentation Deployment #624: Commit 8b048f4 pushed by mohanchen
4m 23s develop
restart from HexxR.csr produced by out_chg (#5586)
Doxygen Documentation Deployment #623: Commit 2ba4117 pushed by mohanchen
3m 32s develop
Refactor: remove GlobalC::ucell in esolver (#5569)
Doxygen Documentation Deployment #622: Commit 4ac1e8a pushed by mohanchen
4m 28s develop
Update elecstate.cpp (#5579)
Doxygen Documentation Deployment #621: Commit c9f7973 pushed by YuLiu98
1h 26m 39s develop
Fix: Fix the warning triggered in error of SCAN_END. (#5576)
Doxygen Documentation Deployment #619: Commit 2c2ed13 pushed by mohanchen
23m 46s develop
Refactor: remove wf from esolver (#5567)
Doxygen Documentation Deployment #618: Commit ed2fecf pushed by mohanchen
3m 40s develop
Update mult_psi_dmr.cpp (#5552)
Doxygen Documentation Deployment #616: Commit 54b044b pushed by WHUweiqingzhou
14m 34s develop