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output the default precision flag (#3496)
Container #1429: Commit 05d4625 pushed by WHUweiqingzhou
January 22, 2024 02:21 1h 26m 33s develop
January 22, 2024 02:21 1h 26m 33s
Fix: fix multiple compiler warnings (#3515)
Container #1428: Commit 433d0ef pushed by WHUweiqingzhou
January 22, 2024 02:19 41m 45s develop
January 22, 2024 02:19 41m 45s
Fix: omit small magnetic moments to avoid numerical instability (#3530)
Container #1427: Commit 600e1a7 pushed by WHUweiqingzhou
January 22, 2024 02:18 30m 13s develop
January 22, 2024 02:18 30m 13s
Fix : unit test of module_xc (#3524)
Container #1426: Commit 4cd8d25 pushed by caic99
January 19, 2024 11:35 5h 8m 5s develop
January 19, 2024 11:35 5h 8m 5s
fix: bug in Autotest.sh when result.ref has no totaltimeref (#3523)
Container #1425: Commit 63875d6 pushed by caic99
January 19, 2024 11:34 5h 7m 54s develop
January 19, 2024 11:34 5h 7m 54s
Feature: support segment split in kline mode in KPT file and `out_ban…
Container #1424: Commit 115a989 pushed by WHUweiqingzhou
January 19, 2024 10:00 1h 50m 33s develop
January 19, 2024 10:00 1h 50m 33s
Feature: add python wrapper for math sphbes (#3475)
Container #1423: Commit 22cfc0b pushed by dyzheng
January 19, 2024 09:38 50m 2s develop
January 19, 2024 09:38 50m 2s
Feature: Add ENABLE_RAPIDJSON option to control the output of abacus.…
Container #1422: Commit af8ccfb pushed by pxlxingliang
January 19, 2024 04:25 2h 15m 33s develop
January 19, 2024 04:25 2h 15m 33s
Docs: fix a missing depencency in conda build env (#3508)
Container #1421: Commit 722962e pushed by WHUweiqingzhou
January 19, 2024 02:59 45m 38s develop
January 19, 2024 02:59 45m 38s
Docs: to avoid the misunderstanding in docs (#3518)
Container #1420: Commit 9f1e38b pushed by caic99
January 18, 2024 11:37 4h 55m 27s develop
January 18, 2024 11:37 4h 55m 27s
Build: add ccache to accelerate the testing process (#3509)
Container #1419: Commit 93c9ce3 pushed by WHUweiqingzhou
January 18, 2024 05:18 3h 52m 43s develop
January 18, 2024 05:18 3h 52m 43s
replace ios.eof() by ios.good() to avoid meeting badbit and failbit i…
Container #1418: Commit 6fe44ad pushed by dyzheng
January 18, 2024 03:02 44m 32s develop
January 18, 2024 03:02 44m 32s
enable the computation of all zeros in one function call (#3449)
Container #1417: Commit 2a92dd8 pushed by dyzheng
January 18, 2024 02:48 57m 13s develop
January 18, 2024 02:48 57m 13s
Refactor: namespace Conv_Coulomb_Pot_K (#3446)
Container #1416: Commit 5692438 pushed by dyzheng
January 18, 2024 02:45 58m 34s develop
January 18, 2024 02:45 58m 34s
Fix: fix bug in mulliken charge calculation (#3503)
Container #1415: Commit caac969 pushed by dyzheng
January 17, 2024 13:17 3h 16m 58s develop
January 17, 2024 13:17 3h 16m 58s
more unittest of QO: towards orbital selection (#3499)
Container #1414: Commit a82517a pushed by WHUweiqingzhou
January 17, 2024 05:39 2h 54m 12s develop
January 17, 2024 05:39 2h 54m 12s
add blas support for FindLAPACK.cmake (#3497)
Container #1413: Commit 275b29a pushed by denghuilu
January 17, 2024 02:43 51m 9s develop
January 17, 2024 02:43 51m 9s
run INPUT.Default() in every process in InputParaTest (#3490)
Container #1412: Commit 3c38596 pushed by WHUweiqingzhou
January 16, 2024 02:19 13h 14m 13s develop
January 16, 2024 02:19 13h 14m 13s
update version to 3.5.1 (#3489)
Container #1411: Commit 8c9ea51 pushed by dyzheng
January 15, 2024 07:55 12h 41m 12s develop
January 15, 2024 07:55 12h 41m 12s
Fix : some minor modifications of PAW (#3476)
Container #1410: Commit cf2da97 pushed by wenfei-li
January 15, 2024 05:31 13h 16m 41s develop
January 15, 2024 05:31 13h 16m 41s
Feature&Refactor: multiple values input now is supported by QO (#3483)
Container #1409: Commit 9c71336 pushed by WHUweiqingzhou
January 15, 2024 05:29 5h 4m 44s develop
January 15, 2024 05:29 5h 4m 44s
Feature: add cg method for lcao basis (#3473)
Container #1408: Commit d66e1ff pushed by denghuilu
January 15, 2024 02:41 58m 4s develop
January 15, 2024 02:41 58m 4s
fix single precision md bug (#3481)
Container #1407: Commit e135c71 pushed by Qianruipku
January 13, 2024 11:32 5h 23m 40s develop
January 13, 2024 11:32 5h 23m 40s
remove backward-cpp tools (#3480)
Container #1406: Commit 781e533 pushed by Qianruipku
January 13, 2024 09:40 57m 56s develop
January 13, 2024 09:40 57m 56s
Feature: Add rocm implementation for mgga (#3479)
Container #1405: Commit be507d6 pushed by Qianruipku
January 13, 2024 09:37 48m 8s develop
January 13, 2024 09:37 48m 8s
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