Commit e641dba
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- 17_relax
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- 21_deepks/03_lcao_CsPbI3
- interfaces/ASE_interface/abacuslite/io
- source
- source_cell
- module_neighbor/test
- module_symmetry
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- source_estate
- module_dm/test
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- source_hamilt
- module_hcontainer/test
- module_vdw
- test
- source_hsolver
- test
- source_io
- module_dhs
- module_energy
- module_hs
- module_json
- test
- module_mulliken
- module_output
- module_parameter
- test_serial
- test
- support
- source_lcao
- module_deepks
- test
- module_deltaspin
- test
- module_dftu
- module_operator_lcao
- test
- module_rdmft
- module_ri
- source_main
- source_md
- test
- source_psi
- test
- source_pw
- module_ofdft
- kernels/cuda
- module_pwdft
- test
- source_relax
- test
- tests
- 01_PW
- 035_PW_15_SO
- 038_PW_NC
- 057_PW_SO_IW
- 058_PW_RE_MB
- 059_PW_RE_MB_traj
- 060_PW_RE_MG
- 063_PW_CR
- 064_PW_CR_fix_a
- 065_PW_CR_fix_ab
- 066_PW_CR_fix_abc
- 067_PW_CR_fix_ac
- 068_PW_CR_fix_b
- 069_PW_CR_fix_bc
- 070_PW_CR_fix_c
- 071_PW_CR_move
- 099_PW_DJ_SO
- 815_PW_DFTU_S2_Z
- 816_PW_DFTU_S4_XY
- 02_NAO_Gamma
- relax_bfgs2
- relax_cell
- relax_old_cg
- 03_NAO_multik
- relax_bfgs2
- relax_cell
- relax_old_cg
- scf_angle_spin4
- scf_out_dos_spin4
- scf_out_mul_spin4
- scf_u_spin4
- 04_FF
- 16_LJ_RE_rule1
- 17_LJ_CR_multi_ele
- 19_LJ_RE_stop
- 20_LJ_dry_run
- 06_SDFT/16_PW_KG_100
- 11_PW_GPU/BUG_nspin4_u
- 17_DS_DFTU
- 02_LCAO_SPIN_S4_XYZ
- 04_LCAO_DFTU_S4_XY
- 05_LCAO_DFTU_S4_XYZ
- 07_PW_SPIN_S4_XYZ
- 09_PW_DFTU_S4_XY
- 14_PW_DS_S4_XYZ
- 15_PW_DS_S4_Z
- 16_PW_DS_S4_XY
- 19_PW_DFTU_DS_S4_XY
- 21_PW_DFTU_DS_S4_Z
- 26_LCAO_DS_S4_XYZ
- 27_LCAO_DS_S4_Z
- 28_LCAO_DS_S4_XY
- 31_LCAO_DFTU_DS_S4_XY
- 32_LCAO_DFTU_DS_S4_XYZ
- 33_LCAO_DFTU_DS_S4_Z
- 37_PW_DS_S4_ReadLam_XY
- 39_PW_DS_S4_Thr1e10_XY
- 41_PW_DS_S4_Thr10_XY
- 43_PW_DFTU_DS_S4_Thr1e10_XY
- 45_PW_DFTU_DS_S4_Thr10_XY
- 55_PW_DS_NSCF_S4_XY
- scf
- 56_PW_DS_S4_DirectionOnly_XY
- 57_PW_DFTU_DS_S4_DirectionOnly_XY
- 58_LCAO_DS_S4_DirectionOnly_XY
- 59_LCAO_DFTU_DS_S4_DirectionOnly_XY
- 60_PW_DFTU_DS_NSCF_Band_XY
- scf
- 61_LCAO_DS_NSCF_S4_XY
- scf
- 62_LCAO_DFTU_NSCF_Band_XY
- scf
- 63_LCAO_DFTU_DS_NSCF_Band_XY
- scf
- 64_PW_DFTU_NSCF_Band_XY
- scf
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