v3.0.1

Release Note

Feature

• Build: add conda building script by @caic99 in deepmodeling#1342 deepmodeling#1370
  Install ABACUS with conda install abacus -c deepmodeling -c conda-forge
• Feature: export information for rpa calculation by @xinyangd and @Srlive1201 in deepmodeling#1391
• Feature: add nonlocal effects for conductivities by @Qianruipku in deepmodeling#1392
• Feature: Modify the output of the rR file to a sparse matrix form by @dyzheng in deepmodeling#1410

Test

• Test: add ut of klist by @hongriTianqi in deepmodeling#1378
• Test: add the arguments for performance/run.sh by @pxlxingliang in deepmodeling#1380
• Test: CI of restart from charge in lcao by @hongriTianqi in deepmodeling#1403

Bug fix

• Fix: a typo of Base Centered Cell by @hongriTianqi in deepmodeling#1379
• Fix: wrong lattice constant A for sc cell by @hongriTianqi in deepmodeling#1384
• Fix : release memory allocated by LIBXC by @wenfei-li in deepmodeling#1395
• Fix: delete useless file write_rho_dipole.cpp by @dyzheng in deepmodeling#1423
• Perf: use MPI_COMPLEX to avoid extra buffer allocation by @caic99 in deepmodeling#1381
• Build(docker): move libtorch to a separated folder by @caic99 in deepmodeling#1382

Documentation

• Docs: Generate pdf and epub for docs by @baixiaokuang in deepmodeling#1371
• Docs: remove blank pages in pdf by @baixiaokuang in deepmodeling#1376
• Docs: fix libxc flag error by @caic99 in deepmodeling#1401
• Docs: update the description of nspin in doc by @Satinelamp in deepmodeling#1405

Refactor

• Refactor: OperatorLCAO with 8 derived classes by @dyzheng in deepmodeling#1243
• Refactor: add init_rho func in class Charge by @hongriTianqi in deepmodeling#1367
• Refactor: Add an eye-catching output for the warning of too close atoms by @pxlxingliang in deepmodeling#1374
• Refactor: implementation of esolver_dp and esolver_lj by @YuLiu98 in deepmodeling#1406

Full Changelog: v3.0.0...v3.0.1