Release v2.3.2 · abacusmodeling/abacus-develop

Features

feature: add electronic conductivities for SDFT by @Qianruipku in deepmodeling#1101
accelerated davidson diagonalization method using new Operator for a example @dyzheng in deepmodeling#1108 deepmodeling#1116 deepmodeling#1118
enabled ABACUS-DPGEN interaface by @hongriTianqi and @pxlxingliang in deepmodeling#1110
enabled ABACUS-Phonopy interaface by @hongriTianqi and @1041176461 in deepmodeling#1111

fix: berry phase calculation in LCAO base with nscf calculation by @dyzheng in deepmodeling#1097
fix: missed Perdew-Wang correlation part for PBE0 functional by @ouqi0711 in deepmodeling#1103
fix: dos plotting bug in plot-tools and delete nk_in<10000 assertion in ABACUS by @1041176461 in deepmodeling#1120 (see also #167)
add Sphere truction of coulomb in HF/PBE0 by @Srlive1201 in deepmodeling#1120 (see also #170)
fix: makefile error for new Operator by @dyzheng in deepmodeling#1127

build: add python3 as requirement by @caic99 in deepmodeling#1091
build: fix elpa version detection by @caic99 in deepmodeling#1092
test (integrated): add the case name of H/S in CASES by @pxlxingliang in deepmodeling#1093
test (integrated):verify wfc_lcao by comparing file and modulo value for k @pxlxingliang in deepmodeling#1098
fix : support for makefile by @wenfei-li in deepmodeling#1099
CI: add building tests for PR by @caic99 in deepmodeling#1100
build: update intel image to ubuntu 22.04 by @caic99 in deepmodeling#1102
build: update cuda image to ubuntu 22.04 by @caic99 in deepmodeling#1104
build: use public docker registry address by @caic99 in deepmodeling#1113

Full Changelog: v2.3.1...v2.3.2