v2.3.2
Features
- feature: add electronic conductivities for SDFT by @Qianruipku in #1101
- accelerated davidson diagonalization method using new Operator for a example @dyzheng in #1108 #1116 #1118
- enabled ABACUS-DPGEN interaface by @hongriTianqi and @pxlxingliang in #1110
- enabled ABACUS-Phonopy interaface by @hongriTianqi and @1041176461 in #1111
Bug fix
- fix: berry phase calculation in LCAO base with nscf calculation by @dyzheng in #1097
- fix: missed Perdew-Wang correlation part for PBE0 functional by @ouqi0711 in #1103
- fix: dos plotting bug in plot-tools and delete nk_in<10000 assertion in ABACUS by @1041176461 in #1120 (see also abacusmodeling#167)
- add Sphere truction of coulomb in HF/PBE0 by @Srlive1201 in #1120 (see also abacusmodeling#170)
- fix: makefile error for new Operator by @dyzheng in #1127
Refactor
Build & Test
- build: add python3 as requirement by @caic99 in #1091
- build: fix elpa version detection by @caic99 in #1092
- test (integrated): add the case name of H/S in CASES by @pxlxingliang in #1093
- test (integrated):verify wfc_lcao by comparing file and modulo value for k @pxlxingliang in #1098
- fix : support for makefile by @wenfei-li in #1099
- CI: add building tests for PR by @caic99 in #1100
- build: update intel image to ubuntu 22.04 by @caic99 in #1102
- build: update cuda image to ubuntu 22.04 by @caic99 in #1104
- build: use public docker registry address by @caic99 in #1113
Documentation
- docs: add docs for abacus-dpgen interface by @1041176461 in #1110
- docs: add docs for abacus-phonopy interface by @1041176461 in #1111
- docs: update installing manual by @caic99 in #1114
- docs: change issue templates to issue form by @haozhihan in #1115
Full Changelog: v2.3.1...v2.3.2