v3.0.5

What's Changed

Features

• Optimized default setting of nbands by @dyzheng in #1582
• Optimize OpenMP support to Force_Stress part in LCAO codes by @Alcanderian in #1559, #1580, #1589, #1594, #1596, #1628, #1635, #1666
• Support GPU Davidson method by @haozhihan in #1566
• Add CUDA/multi-device support for function cal_force_nl by @denghuilu in #1595, #1641, #1653, #1661
• Switch to old convergence criterion for new relaxation scheme by @wenfei-li in #1626
• Add parameter to control HSR printing interval during md by @wenfei-li in #1630
• Support read number of element types from the STRU file.  by @sunliang98 in #1640
• Support K point parallel of Davidson method by @haozhihan in #1645
• EXX numerical type is distinguished by new input parameter "exx_real_number" by @PeizeLin in #1665
• Add i/o & mixing of tau for mGGA by @wenfei-li in #1682
   

Build and Compilation

• Modify codes for compiling with Intel icx by @caic99 in #1575
• Fix Makefile by @Qianruipku in #1634
• Fix: add missed headers for compiling with gcc-12 by @caic99 in #1636
• Build(conda): add DeePKS and Libxc support. by @caic99 in #1637
   

Refactor and Code-cleanup

• Move KEDF of OFDFT to module_hamilt/of_pw by @sunliang98 in #1579
• Remove redundant codes in src_io by @hongriTianqi in #1581, #1624, #1663, #1664, #1679, and by @denghuilu in #1621
• Remove unnecessary device memory operations by @denghuilu in #1620
• Removed unused input parameter tot_magnetization by @wenfei-li in #1651
   

CI and Test coverage

• CI: add vtune into Intel docker image by @caic99 in #1571
• Add e2e tests for vdwd3 and minor clean up by @xinyangd in #1639
• Unit testing for K_Vectors::renew() by @ruiyiQM in #1646
• Add timeout to coverage test command. by @caic99 in #1652
• CI: update vdw3 example by @hongriTianqi in #1654
• CI: update 250_vdw3abc by @hongriTianqi in #1657
• CI: update jd of 250_NO_KP_CR_VDW3ABC by @hongriTianqi in #1660
• Add a unit test for read_kpoints ("Line_Cartesian") by @ruiyiQM in #1675
• Add UT of input by @hongriTianqi in #1683
   

Bug fix

• Fix memory leak in energy_dos by @caic99 in #1576
• Fix the stress calculation in tau_xc for SCAN0 by @ouqi0711 in #1585
• Fix exx + relaxation calculation by @xinyangd in #1593
• Fix: avoid memory leak in Local_Orbital_Charge by @caic99 in #1629
• Fix: stresses are output too close when they are too large by @Qianruipku in #1642
• Fix: symmetry = -1 will lead to unnecessary symmetry operations by @dyzheng in #1648
• Fix : occupation matrix control for DFT+U by @wenfei-li in #1656
• Fix & Perf: wrong sdft and sKG results by @Qianruipku in #1680
• Rearrange output flags for scf and nscf calculation by @hongriTianqi in #1686
   

Documentation

• Add ase doc by @hongriTianqi in #1433
• Update FAQ by @hongriTianqi in #1583
• Update easy_install.md by @xinyangd in #1586
• Update RI related documentation by @xinyangd in #1587
• Update contribution guidelines. by @caic99 in #1590
• Update the default behavior of cal_force and cal_stress by @hongriTianqi in #1622

New Contributors

• @ruiyiQM made their first contribution in #1646

Full Changelog: v3.0.4...v3.0.5

v3.0.4

What's Changed

Features

• Add GPU Baseline for ABACUS ! by @denghuilu in #1535
• Add out_dm1 which prints dm_r in sparse format by @wenfei-li in #1541 and #1577
• Total magnetization can be constrained by nupdown by @dyzheng in #1549

Compilation

• Make ELPA optional by @xinyangd in #1533
• Add elpa_openmp by @Alcanderian in #1556

Refactor

• Removed globalc::chr & input_update by @wenfei-li in #1527
• Add H_TDDFT_pw class for time dependent electronic field by @dyzheng in #1562

Code cleanup & Test coverage

• Remove unused codes in src_pdiag by @hongriTianqi in #1545
• Add DeePKS tests to coverage test by @caic99 in #1537
• Remove obsolete code & add tests by @wenfei-li in #1538, #1539, #1544, #1550， #1561, #1563, #1567
• Remove the useless codes in symmetry by @pxlxingliang in #1548
• Deleted used code for spectrum and old HSolver by @dyzheng in #1564

Bug fix

• Fix bug about rpa interface -out_band-occ-num by @Srlive1201 in #1542
• Add libxc interface for stress calculation in nspin=1 case by @ouqi0711 in #1553
• Fix two misimplementation in nscf calculation by @hongriTianqi in #1551
• Use fabs instead of abs on doubles in module_base/opt_DCsrch.cpp by @maki49 in #1568
• Fixed OperatorDFTU for multi-k and NSPIN=2 by @dyzheng in #1570
• Initialize has_so to false when reading blps pseudopotential by @xinyangd in #1572

Documentation

• Revise install configuring manual by @caic99 in #1531
• Update the link in deepks.md by @ouqi0711 in #1558
• Fix typos in input parameters by @caic99 in #1557

New Contributors

• @Alcanderian made their first contribution in #1556

Full Changelog: v3.0.3...v3.0.4

v3.0.3

What's Changed

Feature

• Feat: NPT ensemble by @YuLiu98 in #1491
• Feature : 1. only check relaxation parameters for calculation=relax/cell-relax; 2. differentiates different calculations for timer and title in cal_gint by @wenfei-li in #1485
• Feature : a new implementation of (variable cell) relaxation by @wenfei-li in #1464
• Feature: add constrained DFT on PW and LCAO code. by @dyzheng in #1530
• Feature: Add ofstream ofs_device to record the device information by @denghuilu in #1497
• Feature: enable rpa calculation with spin by @Srlive1201 in #1522
• Feature: output average iterative diagonalization steps for each electronic step by @dyzheng in #1520
• Feature: Support GPU diagHsubspace in CG method by @haozhihan in #1512
• Feature: Support GPU workflow for CG method by @denghuilu in #1502
• Add a new para esolver_type to specify energy solver by @YuLiu98 in #1475
• Add tests and docs for MD by @YuLiu98 in #1504
• GPU: Add gpu support for HPsi(npol!=1) by @denghuilu in #1490
• GPU: Add multi-device support for psiToRho by @denghuilu in #1501
• Merge md line of all esolver_types by @YuLiu98 in #1480
• Perf: optimize omp critical sections by @caic99 in #1492

Bug Fix

• Fix : the tau_th judgement in v_xc_meta by @wenfei-li in #1532
• Fix bug of energy level output in TDDFT by @lyb9812 in #1452
• fix: delete a redundant keyword in an example INPUT file by @hongriTianqi in #1523
• Fix: deliver obvious warning when cannot finding orb file by @hongriTianqi in #1495
• Fix: disable setting omp thread automatically by @caic99 in #1496
• fix: fix a bug in Nose-Hoover Chain by @YuLiu98 in #1470
• fix: modify velocity operator and case 101_PW_15_lowz by @Qianruipku in #1477
• Fix: read SPIN_CHG twice in lcao relax when init_chg == file by @YuLiu98 in #1514
• Fix: Remove redundant vdw calculations by @xinyangd in #1487
• fix: update output of kpoints by @hongriTianqi in #1479
• Fix: ut of 283_NO_restart by @hongriTianqi in #1467

Refactor

• Refactor : decouple charge and charge_mixing by @wenfei-li in #1488
• refactor : removed globalc::hm and globalc::ufft by @wenfei-li in #1483
• refactor: add ncpp in atom_spec.h by @hongriTianqi in #1447
• refactor: add read_orb_file function by @hongriTianqi in #1509
• Refactor: delete wg and ekb from class wavefunc, only elecstate::ElecState have these two members now by @dyzheng in #1478
• Refactor: new potentials submodule in ElecState replacing GlobalC::pot by @dyzheng in #1513
• Refactor: remove UnitCell_pseudo class by @hongriTianqi in #1493
• Refactor: removed globalc::chr from esolver and module_xc by @wenfei-li in #1507
• refactor: update kpoints format by @hongriTianqi in #1474

Test

• Build: pin OpenBLAS variant to OpenMP by @caic99 in #1505
• CI(cov): set a longer timeout by @caic99 in #1528
• CI: add coverage test by @caic99 in #1524
• ci: clean redundant files in 282_NO_RPA by @hongriTianqi in #1515
• CI: ensuring docker build to use the latest codes by @caic99 in #1498
• CI: remove redundant files after integrate test by @hongriTianqi in #1500
• CI: update docker at 18:00 daily UTC time by @hongriTianqi in #1489
• test: add paths-ignore for docs. by @baixiaokuang in #1518

Documentation

• docs(input): fix a typo in force_thr_ev by @FandosWang in #1510
• Docs: add conda install guides by @caic99 in #1511
• docs: add online coverage report by @caic99 in #1529
• docs: add test coverage report in documentation by @hongriTianqi in #1521
• docs: clarify the usage of deepmd by @ouqi0711 in #1516
• Docs: fix typo in building PW only varient by @caic99 in #1508
• docs: fix typo in documentation by @hongriTianqi in #1526
• Docs: unit of initial magnetization is bohr mag. by @dyzheng in #1525

New Contributors

• @FandosWang made their first contribution in #1510

Full Changelog: v3.0.2...v3.0.3

v3.0.2

What's Changed

• test(symmetry): add the unittest by @pxlxingliang in #1425
• Delete comments that are likely to cause disputes by @pxlxingliang in #1416
• fix: fix bug in md when cal_stress=0 by @YuLiu98 in #1427
• Feature: Add OFDFT algorithm into ABACUS by @sunliang98 in #1414
• separate fictitious force from total force in md_lgv by @YuLiu98 in #1412
• fix: output the cartesian coordinate in cube file by @pxlxingliang in #1426
• Build: abacus can compile pw version with cmake by @Qianruipku in #1397
• docs: skeleton of developer docs by @hongriTianqi in #1411
• change modules to cmake by @hongriTianqi in #1431
• build: add coverage check by @baixiaokuang in #1436
• Build(cmake): fix a typo in policy setting. by @caic99 in #1417
• GPU: Merge branch gpu test from v2.3.5 by @denghuilu in #1428
• Docs: update dpgen.md by @LiangWenshuo1118 in #1434
• test: delete the useless tests/module_cell and tests/module_base by @pxlxingliang in #1432
• Fix: do not resize psi after cell changed by @dyzheng in #1445
• add Berendsen and two Rescaling methods for MD by @YuLiu98 in #1438
• fix(symmetry): do symmetry analysis of real_brav before transfering coordinate to original lattice system by @pxlxingliang in #1435
• Fix: Keep the base definition of operator class in ks_pw consistent with ks_lcao by @denghuilu in #1446
• Refactor: move vdw classes to module_vdw and clean up by @xinyangd in #1448
• refactor : remove wfc_k and wfc_gamma by @wenfei-li in #1444
• fix: modify the coverage name of module_vdw to vdw by @pxlxingliang in #1450
• fix: change code coverage git repo. by @baixiaokuang in #1454
• fix: correct reference for some file-compared test in integrate by @pxlxingliang in #1453
• Fix: Correct the stress calculation of OFDFT by @sunliang98 in #1455
• GPU: Add -g -G flag for CUDA debugging by @denghuilu in #1457
• refactor: modify redundant path in cmakelist of ut to be read by codecov by @pxlxingliang in #1458
• fix: Makefile.Objects for module_vdw by @dyzheng in #1463
• Test: adjust the name of the solvation model integrated test by @ouqi0711 in #1459
• Fix: Maintain numerical consistency while enabling the __CUDA flag by @denghuilu in #1461
• GPU: Add multi device support for HPsi(veff_pw) by @denghuilu in #1456
• fix: install abacus to /usr/local/bin/. by @baixiaokuang in #1468
• Docs: update faq by @hongriTianqi in #1465
• Doc: remedy a title in faq.md by @hongriTianqi in #1469
• Feature: output kpoints file by @hongriTianqi in #1472

New Contributors

• @LiangWenshuo1118 made their first contribution in #1434

Full Changelog: v3.0.1...v3.0.2

v3.0.1

Release Note

Feature

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

Test

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

Bug fix

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

Documentation

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

Refactor

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

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

v3.0.0: Towards AI+DFT

Release Note

This update focuses on new AI-assisted algorithms: the machine learning assisted functional model DeePKS, the feature of generating machine learning atomic interaction potential functions with DP-GEN, and the interface with DeepH which generates Hamiltonian based on machine learning methods. In addition, ABACUS implements new features such as Meta-GGA and Stochastic Density Functional Theory (SDFT). ABACUS has also made significant efficiency optimizations. In addition, a brand-new documentation website will further enhance the user experience.

Feature

• feature: add the output of .cube file in LCAO out_chg calculation by @pxlxingliang in #1310
• Feature: add xc_temperature input keyword for finite T functionals by @wenfei-li in #1227
• feature: output H/S matrix into a sub dir in md calculation by @YuLiu98 in #1258

Test

• test: arrange examples/ and move performance under tests/ by @pxlxingliang in #1241
• test: improve dflow_run.py by @hongriTianqi in #1338
• test: move PP_ORB under tests directory by @hongriTianqi in #1238

Bug fix

• Fix: std::tuple used but not included by @caic99 in #1255
• fix: add a space between keyword and value in OUT.XXX/INPUT by @pxlxingliang in #1341
• Fix: add induced charge term to the output of electrostatic potential by @sunml99 in #1265
• Fix: delete some unused INPUT parameters by @pxlxingliang in #1228
• fix: fix the output of fermi energy in charge density when nspin=2 by @pxlxingliang in #1306
• fix: gint bug when distance between atom and grid is exactly the ra… by @wenfei-li in #1246
• Fix: libxc compile flag not added by @caic99 in #1249
• Fix: minor bug in SCAN0 by @ouqi0711 in #1263
• Fix: modified some timer ticks by @dyzheng in #1253
• Fix: modified the warning info for nbands<ncpus by @ouqi0711 in #1219
• fix: no output of STRU_ION file when atoms fixed by @hongriTianqi in #1304
• Fix: nscf with hybrid functional 'hse' or 'pbe0' or 'scan0' by @dyzheng in #1280
• Fix: Remove redundant code for compensation charge module. by @ddhhss in #1259
• Fix: setting of k-points in NSPIN=2 has conflict with Pkpoints in numerical_basis.cpp by @dyzheng in #1224
• Fix: stuck when the specified number of atoms is larger than that listed in coordinate block by @ouqi0711 in #1236
• Merge: Update DFT+U & documentation for DFT+U and Wannier90 interface from abacusmodeling/abacus-develop/develop by @dyzheng in #1326
• Build: add back elpa version check by @caic99 in #1250
• Build: add gcc version check by @caic99 in #1251
• Build: add Libxc version check and docs by @caic99 in #1252
• Build: bump version to 3.0 by @caic99 in #1278
• Build: Make ABACUS-PW.x able to be compiled without LCAO  by @Qianruipku in #1271
• Build: revise some typos by @Qianruipku in #1322
• Build: Rewrite Makefile by @Qianruipku in #1293
• Build: won't download libxc on absent. by @caic99 in #1312
• Combination of dipole correction and compensating charge by @YuLiu98 in #1248
• dflow: strip possible && at end of env_cmd by @hongriTianqi in #1346
• wflow: fix a bug in dflow_run.py by @hongriTianqi in #1334
• wflow: improve dflow_run.py by @hongriTianqi in #1332
• workflow: add dflow script for examples by @hongriTianqi in #1329

Documentation

Our developers have elaborately prepared the all-new documentation website. Please refer to the "Full Changelog" part for changes on documentation.

Refactor

• refactor : absorb 'INPUTs ' into INPUT when generating DeePKS projectors by @wenfei-li in #1244
• refactor: add allocateRho func in elecstate module by @hongriTianqi in #1266
• refactor: add the output of lacked INPUT parameters in OUT.XXX/INPUT by @pxlxingliang in #1232
• Refactor: delete the useless INPUT parameters restart_mode and test_just_neighbor by @pxlxingliang in #1233
• Refactor: Remove the global variable global_pseudo_type. by @sunliang98 in #1247
• refactor:in the diago of dav, modify to diagonalize the subspace only on rank0 by @pxlxingliang in #1221

Full Changelog:

v2.3.5...v3.0.0

v2.3.5

Release Note

Feature

• Feature: added optional value "-1" for variable "symmetry" for no time-reversal symmetry by @dyzheng in #1194
• perf: allow soc in the accelerated vnl which also fixes a bug in the old vnl by @wenfei-li in #1214
• Feature: use new interface part in GENELPA for ABACUS's genelpa feature by @pplab and @caic99 in #1213

Test

• Test(performance): correct the reference result by @pxlxingliang in #1192
• Test: update test script by @caic99 in #1201

Bug fix

• Fix: Add calculation for compensating charge energy and force. by @ddhhss in #1193
• Fix: delete hpsi before new one in operator.h by @pxlxingliang in #1196
• Fix: Out-of-bounds memory access in v_compensating. by @ddhhss in #1200
• Fix: serial version by @lyb9812 in #1202
• Fix：Bug in parallel computing of compensating force. by @ddhhss in #1204
• Fix: SOC calculation in PW code would caused nan by @dyzheng in #1212

Documentation

• Docs: fix pp dead link by @caic99 in #1205
• Docs: remove garbled characters. by @caic99 in #1206
• Docs: note to use the develop branch of phonopy by @hongriTianqi in #1208
• Docs: add hands-on examples and input keywords for implicit solvation model by @sunml99 in #1215

Full Changelog: v2.3.4...v2.3.5

v2.3.4

Features

• Feature: plot different contributions of atomic orbitals in PBANDS by @1041176461 in abacusmodeling#174
• Feature: add openmp in ORB_table_phi::cal_ST_Phi12_R() by @PeizeLin in abacusmodeling#175
• Feature: log math lib info by @caic99 in #1172
• Feature: build libxc in the absence of local install by @caic99 in #1173
• Feature: add force correction for implicit solvation model by @sunml99 in #1174
• Performance: Optimize SDFT to use less Chebyshev expansions by @Qianruipku in #1179
• Performance: accelerate stochastic DOS by @Qianruipku in #1185
• Feature: add dpgen autotest example by @hongriTianqi in #1189

Refactor

• Refactor: fully decouple esolver and relaxation, and build a new module: module_relaxation by @wenfei-li in #1170 and #1186
• Refactor: modified Operator::hPsi(), hpsi memory arranged outside by @dyzheng in #1188

Bug fix

• Fix: a error of mem_saver=1 with ks_solver=cg has been fixed by @dyzheng in #1168
• Fix: fix bug in 2nd order charge extrapolation by @wenfei-li in #1169
• Fix: do delete before new tau_original in atom_spec.cpp by @pxlxingliang in #1175
• Fix: Veff error when MPI_threads larger than nz by @dyzheng in #1183
• Fix: bug in envelop function by @wenfei-li in #1186
• Fix: Scan error when MPI_threads larger than nz by @Qianruipku in #1187
• Fix: updated key word of total time and replace "-eq" with "==" by @dyzheng in #1190

Documentation

• docs: update input parameters in input-main.md: exx_separate_loop, exx_hybrid_step, exx_lambda by @1041176461 in abacusmodeling#174
• docs: update libxc keyword in install.md by @PoloTier abacusmodeling#178
• docs: fix dead links in deepks installation by @caic99 in #1176
• docs: update ambiguous phrases by @caic99 in #1178
• docs: update gcc requirements by @caic99 in #1180

Full Changelog: v2.3.3...v2.3.4

v2.3.3

Features

• Feature: Add electronic conductivities for SDFT by @Qianruipku in #1101
• Feature: Optimize stochastic Kubo-Greenwood by @Qianruipku in #1130
• Feature: Add Kubo-Greenwood and DOS calculation for SDFT by @Qianruipku in #1136
• feature : mGGA in LCAO basis by @wenfei-li in #1135
• add the check of structure by @pxlxingliang in #1139
• perf: accelerate nonlocal force for multik by @wenfei-li in #1148
• Merge : develop branch and TDDFT branch by @lyb9812 in #1008
• Merge : TDDFT branch by @lyb9812 in #1138

Bug fix

• Fix(gint): temp value may be unitialized by @caic99 in #1124
• Fix: template init failure on clang (#951) by @caic99 in #1122
• Fix(sph_bessel): using correct abs function for float by @caic99 in #1123
• Fix: nscf need smaller diag_ethr than scf by @Qianruipku in #1137
• fix : removed unnecessary part from get_S;close mGGA stress for nspin = 2 by @wenfei-li in #1144
• fix : cutoff for grho by @wenfei-li in #1145
• fix unstablity in sdft md by @Qianruipku in #1142
• fix: kpar>1 & basis=lcao not supported yet by @hongriTianqi in #1147
• Fix: HSE without exx_separate_loop by @dyzheng in #1153
• fix: generate KPT file when pw calculation is used with gamma_only = 1 by @wenfei-li in #1152
• Fix: use vector to avoid compiler error on clang by @caic99 in #1155
• fix : increase mxr in Ewald, in case by @wenfei-li in #1159
• fix: no update of STRU_NOW.cif if only 1 ion step in 1 cell step by @hongriTianqi in #1160
• fix : error in tddft codes by @lyb9812 in #1161
• fix: memory leak in LCAO calculations by @wenfei-li in #1163

Build & test

• test: add exit in XXX_parallel_test.sh when running error by @pxlxingliang in #1126
• Build: add executable file to docker image by @caic99 in #1157

Documentation

• output: modify warning pattern by @hongriTianqi in #1134
• docs: fix dead link in markdown files by @caic99 in #1140
• Docs: add usage for docker images by @caic99 in #1143
• docs: fix a typo in features.md by @Satinelamp in #1151
• docs: update dpgen.md by @hongriTianqi in #1156
• Update input-main.md by @ouqi0711 in #1167

Full Changelog: v2.3.2...v2.3.3

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

• refactor: Operator for PW base by @dyzheng in
  #1108 #1116 #1118

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