abacus-develop/tests/03_NAO_multik/CASES_GPU.txt at 0e210f81fb1230f8ebdc15fe7162e7f35a237c89 · deepmodeling/abacus-develop · GitHub

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scf_pp_upf1
scf_pp_upf201
scf_pp_sg15
scf_pp_gth
scf_angle_spin4
scf_u_spin1
scf_u_spin2
scf_u_spin4
#scf_u_ramp
scf_vdw3abc
scf_solvation
scf_eadd
scf_eadd_spin2
scf_eminus
scf_eminus_spin2
scf_bspline
scf_0atoms
#scf_symm_prec
scf_smallg_spin1
scf_smallg_spin2
scf_in_dmr_GaAs
scf_in_dmr_Si
scf_in_restart
#scf_in_dmr_Si_spin2_hasbug
#scf_in_hr_hasbug
scf_out_dos_spin2
scf_out_wf
scf_out_chg_pot1
#scf_out_chg_tau
scf_out_pot3
scf_out_dmr_dmk
scf_out_hsk
scf_out_hsk_binary
scf_out_hsr
scf_out_hsr_binary_spin2
scf_out_hsr_spin4
scf_out_dh_t
scf_out_dos_spin4
scf_out_mul
scf_out_mul_spin2
scf_out_mul_spin4
scf_out_mul_nupdw
scf_out_elf
scf_out_qo
nscf_out_dos
nscf_out_band_pband
nscf_out_pot1
nscf_out_mul
nscf_out_hsr_tr_rr
relax_bfgs2
relax_old_cg
relax_cell
relax_cell_vdw2
relax_cell_vdw3
relax_cell_vdw3bj
#relax_cell_vdw4_d4
#relax_cell_vdw4_d4s
md_nvt
md_msst
md_out_wf
md_out_syns
md_chg_extra
get_wf
get_wf0
get_pchg
get_pchg_k
get_s