ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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Directories | |
test | |
Files | |
band_energy.cpp | |
band_energy.h | |
evolve_elec.cpp | |
evolve_elec.h | |
evolve_psi.cpp | |
evolve_psi.h | |
evolve the wave function This file originally belonged to file LCAO_evolve.cpp | |
middle_hamilt.cpp | |
middle_hamilt.h | |
compute H(t+dt/2) This file originally belonged to file LCAO_evolve.cpp | |
norm_psi.cpp | |
norm_psi.h | |
normalize the wave function This file originally belonged to file LCAO_evolve.cpp | |
propagator.cpp | |
propagator.h | |
compute propagtor to evolve the wave function This file originally belonged to file LCAO_evolve.cpp | |
propagator_cn2.cpp | |
propagator_etrs.cpp | |
propagator_taylor.cpp | |
snap_psibeta_half_tddft.cpp | |
snap_psibeta_half_tddft.h | |
solve_propagation.cpp | |
solve_propagation.h | |
td_folding.cpp | |
td_folding.h | |
td_info.cpp | |
td_info.h | |
upsi.cpp | |
upsi.h | |
apply U_operator to the wave function of the previous step for new wave function This file originally belonged to file LCAO_evolve.cpp | |
velocity_op.cpp | |
velocity_op.h | |