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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 | |
| gather_mat.h | |
| 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 | |