nlcc_oct_m Module Reference

Data Types
interface	nlcc_t

Functions/Subroutines
class(nlcc_t) function, pointer	nlcc_constructor (partner)
subroutine	nlcc_init (this, mesh, ions)
subroutine	nlcc_bind (this, ions)
	Rebind NLCC helper pointers after copying the ionic geometry. The movers in NLCC reference ionic arrays that must point to the copied ions. More...
subroutine	nlcc_calculate (this)
subroutine	nlcc_end (this)
subroutine	nlcc_finalize (this)
subroutine	nlcc_calculate_energy (this)

Function/Subroutine Documentation

nlcc_constructor()

class(nlcc_t) function, pointer nlcc_oct_m::nlcc_constructor ( class(interaction_partner_t), intent(inout), target  partner )

private

Definition at line 178 of file nlcc.F90.

nlcc_init()

subroutine nlcc_oct_m::nlcc_init ( class(nlcc_t), intent(inout)  this, class(mesh_t), intent(in), target  mesh, type(ions_t), intent(in), target  ions  )

private

Definition at line 194 of file nlcc.F90.

nlcc_bind()

subroutine nlcc_oct_m::nlcc_bind ( class(nlcc_t), intent(inout)  this, type(ions_t), intent(in), target  ions  )

private

Rebind NLCC helper pointers after copying the ionic geometry. The movers in NLCC reference ionic arrays that must point to the copied ions.

Definition at line 218 of file nlcc.F90.

nlcc_calculate()

subroutine nlcc_oct_m::nlcc_calculate ( class(nlcc_t), intent(inout)  this )

private

Definition at line 234 of file nlcc.F90.

nlcc_end()

subroutine nlcc_oct_m::nlcc_end ( class(nlcc_t), intent(inout)  this )

private

Definition at line 263 of file nlcc.F90.

nlcc_finalize()

subroutine nlcc_oct_m::nlcc_finalize ( type(nlcc_t), intent(inout)  this )

private

Definition at line 278 of file nlcc.F90.

nlcc_calculate_energy()

subroutine nlcc_oct_m::nlcc_calculate_energy ( class(nlcc_t), intent(inout)  this )

private

Definition at line 289 of file nlcc.F90.