Release v3.1.3 · abacusmodeling/abacus-develop

Features and Performance

Perf: cache address in pw_transform by @caic99 in deepmodeling#1885
Feature : output electronic dipole moment for tddft by @lyb9812 in deepmodeling#1887
Feature : print derivative of Hamiltonian matrix by @wenfei-li in deepmodeling#1880
Perf: init sender-buffer once in Gint for gamma_only by @dyzheng in deepmodeling#1895
Feature: enable TDDFT to support multiple electric field simulations by @1041176461 in deepmodeling#1889
Feature: add bessel parameters in Input, for fixing generator of orbital file by @dyzheng in deepmodeling#1891
Perf(LCAO): Various optimizations of detail code by @Alcanderian in deepmodeling#1901

Refactor: split write_dos_lcao and write_dos_pw into separate functions by @hongriTianqi in deepmodeling#1890
Refactor: rearranged files in src_parallel and deleted src_parallel directory by @dyzheng in deepmodeling#1922
Refactor: read pseudopotentials in esolver_fp by @YuLiu98 in deepmodeling#1926

Test: add UT for functions in class abfs-vector3_order by @hongriTianqi in deepmodeling#1878
Test: add UT for constructor functions in module_base by @hongriTianqi in deepmodeling#1882
Test: update UT of blas_connector by @hongriTianqi in deepmodeling#1881
Test: add a UT in klist_test.cpp by @hongriTianqi in deepmodeling#1897
Test: update UT of read_pp by @hongriTianqi in deepmodeling#1900
Test: add UT for pseudo_nc by @hongriTianqi in deepmodeling#1911
Test:UnitTest for ComplexArray and related functions by @SeptemberMy in deepmodeling#1910
Test: UnitTest for overloading of operator "()" by @SeptemberMy in deepmodeling#1917
Test: add UT for class atom_pseudo by @hongriTianqi in deepmodeling#1919
Test: add UT for class Atom by @hongriTianqi in deepmodeling#1923
Test: libm code coverage by @Alcanderian in deepmodeling#1933

Fix: fix UT error related to issue 1828 by @denghuilu in deepmodeling#1883
Fix: update Makefile and CMakeLists.txt for dp by @YuLiu98 in deepmodeling#1888
Fix: no istate.info output by @hongriTianqi in deepmodeling#1896
Fix: Libxc with soc by @dyzheng in deepmodeling#1879
Fix: fix C interface for DeePMD-kit by @YuLiu98 in deepmodeling#1894
Fix: Minor bug fixed and efficiency improved in LibRI and LibComm by @ouqi0711 in deepmodeling#1907
fix: bug when stru_file=../STRU by @Qianruipku in deepmodeling#1930
Fix: no function found in parallel tests by @hongriTianqi in deepmodeling#1931
Fix: a bug in atom_spec_test by @hongriTianqi in deepmodeling#1934
Fix: warning in #1939 and add documentations by @PeizeLin in deepmodeling#1939

Full Changelog: v3.1.2...v3.1.3