Octopus
target_classical_oct_m Module Reference

Data Types

type  target_classical_t
 Target on the classical degrees of freedom. More...
 

Functions/Subroutines

subroutine target_init_classical (tg, gr, kpoints, namespace, space, ions, qcs, td, w0, oct, ep, restart)
 
subroutine target_end_classical (tg, oct)
 
subroutine target_output_classical (tg, namespace, space, gr, dir, ions, hm, outp)
 The classical target has no associated grid output. More...
 
real(real64) function target_j1_classical (tg, namespace, gr, kpoints, qcpsi, ions)
 
subroutine target_chi_classical (tg, namespace, gr, kpoints, qcpsi_in, qcchi_out, ions)
 

Function/Subroutine Documentation

◆ target_init_classical()

subroutine target_classical_oct_m::target_init_classical ( class(target_classical_t), intent(inout)  tg,
type(grid_t), intent(in)  gr,
type(kpoints_t), intent(in)  kpoints,
type(namespace_t), intent(in)  namespace,
class(space_t), intent(in)  space,
type(ions_t), intent(in)  ions,
type(opt_control_state_t), intent(inout)  qcs,
type(td_t), intent(in)  td,
real(real64), intent(in)  w0,
type(oct_t), intent(in)  oct,
type(epot_t), intent(inout)  ep,
type(restart_t), intent(inout)  restart 
)
private

Definition at line 164 of file target_classical.F90.

◆ target_end_classical()

subroutine target_classical_oct_m::target_end_classical ( class(target_classical_t), intent(inout)  tg,
type(oct_t), intent(in)  oct 
)
private

Definition at line 271 of file target_classical.F90.

◆ target_output_classical()

subroutine target_classical_oct_m::target_output_classical ( class(target_classical_t), intent(inout)  tg,
type(namespace_t), intent(in)  namespace,
class(space_t), intent(in)  space,
type(grid_t), intent(in)  gr,
character(len=*), intent(in)  dir,
type(ions_t), intent(in)  ions,
type(hamiltonian_elec_t), intent(in)  hm,
type(output_t), intent(in)  outp 
)
private

The classical target has no associated grid output.

Definition at line 287 of file target_classical.F90.

◆ target_j1_classical()

real(real64) function target_classical_oct_m::target_j1_classical ( class(target_classical_t), intent(inout)  tg,
type(namespace_t), intent(in)  namespace,
type(grid_t), intent(in)  gr,
type(kpoints_t), intent(in)  kpoints,
type(opt_control_state_t), intent(inout)  qcpsi,
type(ions_t), intent(in), optional  ions 
)
private

Definition at line 305 of file target_classical.F90.

◆ target_chi_classical()

subroutine target_classical_oct_m::target_chi_classical ( class(target_classical_t), intent(inout)  tg,
type(namespace_t), intent(in)  namespace,
type(grid_t), intent(in)  gr,
type(kpoints_t), intent(in)  kpoints,
type(opt_control_state_t), intent(inout), target  qcpsi_in,
type(opt_control_state_t), intent(inout), target  qcchi_out,
type(ions_t), intent(in)  ions 
)
private

Definition at line 337 of file target_classical.F90.