v3.5.1

Feature

• Feature: Quasiatomic Orbital (QO) implement - immediate by @kirk0830 in deepmodeling#3236
• Feature: autoset efield related parameters by @YuLiu98 in deepmodeling#3432
• add note if no INPUT_PARAMETERS in INPUT card by @Satinelamp in deepmodeling#3407
• Refactor&Feature: add default value controlling decimal length of output for out_mat_hs 1 case and expose user control keyword out_ndigits by @kirk0830 in deepmodeling#3377
• Feature: Pythonization of Two-Center Integral Module by @jieli-matrix in deepmodeling#3349
• Feature: enable using spherical Bessel coefficients as an alternative to numerical atomic orbital file by @jinzx10 in deepmodeling#3404
• Feature: support list input parse and multiple values for bessel_nao_rcut by @kirk0830 in deepmodeling#3454
• Feature: support QO can be installed like python setup.py install and use as import abacus2qo by @kirk0830 in deepmodeling#3463
• Feature: support precision control for out_mat_hs keyword and default value set to 8 by @kirk0830 in deepmodeling#3468
• Feature & Refactor: write XC matrix in KS-wfc representation and unify matrix-writing functions by @maki49 in deepmodeling#3441
• Feature: Add CUDA support for stress_mgga function by @denghuilu in deepmodeling#3474
• Feature: Autoset a finite magmon if STRU does not specify a finite one by @WHUweiqingzhou in deepmodeling#3453
• Feature: Add rocm implementation for mgga by @denghuilu in deepmodeling#3479
• Feature: add cg method for lcao basis by @haozhihan in deepmodeling#3473
• Feature&Refactor: multiple values input now is supported by QO by @kirk0830 in deepmodeling#3483

Refactor

• Refactor: delete tmp files in md/relax by @YuLiu98 in deepmodeling#3427
• Refactor: Exx_LRI::cal_exx_elec(Ds) by @PeizeLin in deepmodeling#3429
• Refactor: move rho_mag from Charge into Charge_Mixing, making them independent of each other by @WHUweiqingzhou in deepmodeling#3435
• Refactor：Support custom HexxR to OperatorEXX by @maki49 in deepmodeling#3470

Bug fix

• Fix: bug of training force and stress with DeePKS by @dyzheng in deepmodeling#3444
• Fix: the bug of garbled output by @Zhuxuegang2022 in deepmodeling#3458
• Fix: compare k-lattice in ibz_kpoint only when k-point is generated by Monkhorst-Pack by @maki49 in deepmodeling#3442
• Fix: elpa memory leak by @caic99 in deepmodeling#3472
• Fix: Remove backward-cpp tools by @denghuilu in deepmodeling#3480
• Fix: Fix single precision md bug by @denghuilu in deepmodeling#3481
• Fix : some minor modifications of PAW by @wenfei-li in deepmodeling#3476

Test

• Test: add a UnitTest for AutosetMag in read_atom_position() by @WHUweiqingzhou in deepmodeling#3471
• Test: add precision tests for zeros and derivatives in math sphbes by @jieli-matrix in deepmodeling#3445

Documentation

• Docs: Add instructions on using conda as build env by @caic99 in deepmodeling#3466
• update version to 3.5.1 by @hongriTianqi in deepmodeling#3489

Full Changelog: v3.5.0...v3.5.1