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(git:b77b4be)
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Routines to perform the RTP in the velocity gauge. More...
Functions/Subroutines | |
subroutine, public | velocity_gauge_ks_matrix (qs_env, subtract_nl_term) |
... | |
subroutine, public | update_vector_potential (qs_env, dft_control) |
Update the vector potential in the case where a time-dependant electric field is apply. | |
subroutine, public | velocity_gauge_nl_force (qs_env, particle_set) |
Calculate the force associated to non-local pseudo potential in the velocity gauge. | |
Routines to perform the RTP in the velocity gauge.
subroutine, public rt_propagation_velocity_gauge::velocity_gauge_ks_matrix | ( | type(qs_environment_type), pointer | qs_env, |
logical, intent(in), optional | subtract_nl_term | ||
) |
...
qs_env | ... |
subtract_nl_term | ... |
Definition at line 92 of file rt_propagation_velocity_gauge.F.
subroutine, public rt_propagation_velocity_gauge::update_vector_potential | ( | type(qs_environment_type), intent(inout), pointer | qs_env, |
type(dft_control_type), intent(inout), pointer | dft_control | ||
) |
Update the vector potential in the case where a time-dependant electric field is apply.
qs_env | ... |
dft_control | ... |
Definition at line 263 of file rt_propagation_velocity_gauge.F.
subroutine, public rt_propagation_velocity_gauge::velocity_gauge_nl_force | ( | type(qs_environment_type), pointer | qs_env, |
type(particle_type), dimension(:), pointer | particle_set | ||
) |
Calculate the force associated to non-local pseudo potential in the velocity gauge.
qs_env | ... |
particle_set | ... |
Definition at line 892 of file rt_propagation_velocity_gauge.F.