v3.0.2
What's Changed
- test(symmetry): add the unittest by @pxlxingliang in #1425
- Delete comments that are likely to cause disputes by @pxlxingliang in #1416
- fix: fix bug in md when cal_stress=0 by @YuLiu98 in #1427
- Feature: Add OFDFT algorithm into ABACUS by @sunliang98 in #1414
- separate fictitious force from total force in md_lgv by @YuLiu98 in #1412
- fix: output the cartesian coordinate in cube file by @pxlxingliang in #1426
- Build: abacus can compile pw version with cmake by @Qianruipku in #1397
- docs: skeleton of developer docs by @hongriTianqi in #1411
- change modules to cmake by @hongriTianqi in #1431
- build: add coverage check by @baixiaokuang in #1436
- Build(cmake): fix a typo in policy setting. by @caic99 in #1417
- GPU: Merge branch gpu test from v2.3.5 by @denghuilu in #1428
- Docs: update dpgen.md by @LiangWenshuo1118 in #1434
- test: delete the useless tests/module_cell and tests/module_base by @pxlxingliang in #1432
- Fix: do not resize psi after cell changed by @dyzheng in #1445
- add Berendsen and two Rescaling methods for MD by @YuLiu98 in #1438
- fix(symmetry): do symmetry analysis of real_brav before transfering coordinate to original lattice system by @pxlxingliang in #1435
- Fix: Keep the base definition of operator class in ks_pw consistent with ks_lcao by @denghuilu in #1446
- Refactor: move vdw classes to module_vdw and clean up by @xinyangd in #1448
- refactor : remove wfc_k and wfc_gamma by @wenfei-li in #1444
- fix: modify the coverage name of module_vdw to vdw by @pxlxingliang in #1450
- fix: change code coverage git repo. by @baixiaokuang in #1454
- fix: correct reference for some file-compared test in integrate by @pxlxingliang in #1453
- Fix: Correct the stress calculation of OFDFT by @sunliang98 in #1455
- GPU: Add -g -G flag for CUDA debugging by @denghuilu in #1457
- refactor: modify redundant path in cmakelist of ut to be read by codecov by @pxlxingliang in #1458
- fix: Makefile.Objects for module_vdw by @dyzheng in #1463
- Test: adjust the name of the solvation model integrated test by @ouqi0711 in #1459
- Fix: Maintain numerical consistency while enabling the __CUDA flag by @denghuilu in #1461
- GPU: Add multi device support for HPsi(veff_pw) by @denghuilu in #1456
- fix: install abacus to /usr/local/bin/. by @baixiaokuang in #1468
- Docs: update faq by @hongriTianqi in #1465
- Doc: remedy a title in faq.md by @hongriTianqi in #1469
- Feature: output kpoints file by @hongriTianqi in #1472
New Contributors
- @LiangWenshuo1118 made their first contribution in #1434
Full Changelog: v3.0.1...v3.0.2