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initialize some variables (#3904)
Container #1572: Commit 9fb1e4d pushed by mohanchen
April 3, 2024 02:25 2h 40m 12s develop
April 3, 2024 02:25 2h 40m 12s
initialized winput::imp_pao = 0 in winput.cpp (#3897)
Container #1571: Commit ed8593a pushed by mohanchen
April 3, 2024 01:21 1h 51m 10s develop
April 3, 2024 01:21 1h 51m 10s
Update read_rhog.cpp (#3887)
Container #1570: Commit d4fab4d pushed by mohanchen
April 3, 2024 01:19 1h 51m 18s develop
April 3, 2024 01:19 1h 51m 18s
llk_initialization of read_atoms.cpp (#3900)
Container #1569: Commit 2ae3609 pushed by mohanchen
April 3, 2024 01:15 1h 53m 16s develop
April 3, 2024 01:15 1h 53m 16s
Fix: compiling warning in veff_lcao.cpp (#3901)
Container #1568: Commit d6f00d0 pushed by mohanchen
April 3, 2024 01:15 1h 52m 18s develop
April 3, 2024 01:15 1h 52m 18s
Initialized some variables in projgen.cpp (#3905)
Container #1567: Commit b62a807 pushed by mohanchen
April 3, 2024 01:14 1h 39m 41s develop
April 3, 2024 01:14 1h 39m 41s
Update klist.cpp (#3908)
Container #1566: Commit e49fce2 pushed by mohanchen
April 3, 2024 01:13 31m 19s develop
April 3, 2024 01:13 31m 19s
<Fix> Fix the hexadecimal output in MD with OFDFT (#3896)
Container #1565: Commit cb69fb3 pushed by mohanchen
April 2, 2024 13:22 4h 53m 19s develop
April 2, 2024 13:22 4h 53m 19s
initialize some variables (#3846)
Container #1564: Commit fc9a0de pushed by mohanchen
April 2, 2024 12:55 4h 3m 24s develop
April 2, 2024 12:55 4h 3m 24s
Feature & Refactor: read and write Hexx(R) in CSR format (#3727)
Container #1563: Commit dc7938b pushed by dyzheng
April 2, 2024 11:52 5h 5m 15s develop
April 2, 2024 11:52 5h 5m 15s
Fix: fix a bug in get_dmk_vector() and make some refactor of get-fu…
Container #1562: Commit c78456c pushed by dyzheng
April 2, 2024 09:38 1h 30m 44s develop
April 2, 2024 09:38 1h 30m 44s
Test: add unit test of DFTUNew and refactor some code (#3814)
Container #1561: Commit 42a086e pushed by WHUweiqingzhou
April 2, 2024 02:16 1h 13m 48s develop
April 2, 2024 02:16 1h 13m 48s
Update ORB_atomic.cpp (#3835)
Container #1560: Commit 974ebed pushed by mohanchen
April 2, 2024 01:34 1h 16m 21s develop
April 2, 2024 01:34 1h 16m 21s
#3867 (#3871)
Container #1559: Commit 8959127 pushed by mohanchen
April 2, 2024 01:07 1h 29m 55s develop
April 2, 2024 01:07 1h 29m 55s
Refactor LCAO step 2 (#3874)
Container #1558: Commit 81540d0 pushed by mohanchen
April 2, 2024 01:04 59m 28s develop
April 2, 2024 01:04 59m 28s
Update berryphase.cpp (#3876)
Container #1557: Commit 6814360 pushed by mohanchen
April 2, 2024 01:02 31m 9s develop
April 2, 2024 01:02 31m 9s
delete a extra bracket (#3863)
Container #1556: Commit 222f1f2 pushed by dyzheng
April 1, 2024 09:49 1h 51m 48s develop
April 1, 2024 09:49 1h 51m 48s
Refactoring LCAO codes. (#3860)
Container #1555: Commit 034316e pushed by jinzx10
April 1, 2024 05:38 1h 30m 44s develop
April 1, 2024 05:38 1h 30m 44s
Fix: potentially uninitialized variables in calculation (#3834)
Container #1554: Commit fe07b2e pushed by mohanchen
March 31, 2024 13:44 3h 11m 0s develop
March 31, 2024 13:44 3h 11m 0s
Add files via upload (#3858)
Container #1553: Commit b39847e pushed by mohanchen
March 31, 2024 13:32 3h 21m 20s develop
March 31, 2024 13:32 3h 21m 20s
Keep updating esolver and related source files (#3853)
Container #1552: Commit 96b72b2 pushed by mohanchen
March 31, 2024 13:30 3h 9m 43s develop
March 31, 2024 13:30 3h 9m 43s
modify the criteria (#3849)
Container #1551: Commit 7f05684 pushed by pxlxingliang
March 29, 2024 12:55 4h 43m 52s develop
March 29, 2024 12:55 4h 43m 52s
Fix mistakes in TDDFT docs (#3841)
Container #1550: Commit 026bfd8 pushed by dyzheng
March 29, 2024 08:08 1h 7m 50s develop
March 29, 2024 08:08 1h 7m 50s
Test: Save simpson test results to file (#3842)
Container #1549: Commit 8bc01b1 pushed by pxlxingliang
March 29, 2024 08:04 1h 9m 31s develop
March 29, 2024 08:04 1h 9m 31s
Perf: use converged occupation matrix for initial DFTU calculation in…
Container #1548: Commit 1fa4f86 pushed by WHUweiqingzhou
March 29, 2024 06:48 1h 58m 32s develop
March 29, 2024 06:48 1h 58m 32s