v3.0.2

What's Changed

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

New Contributors

• @LiangWenshuo1118 made their first contribution in deepmodeling#1434

Full Changelog: v3.0.1...v3.0.2