PC_WeightedParticles_t

type, private, extends(PC_Particles_t) :: PC_WeightedParticles_t

Components

Type	Visibility	Attributes		Name		Initial
logical,	public		::	use_lookup	=	.false.	Use a lookup for the supergroup index in global_det_data.
logical,	public		::	create_lookup	=	.false.	Create and manage! the supergroup index lookup in global_det_data.

Type-Bound Procedures

procedure, public :: init => init_PC_WeightedParticles_t

private subroutine init_PC_WeightedParticles_t(this, GAS_spec, weights, rank_with_info, use_lookup, create_lookup)

Arguments

Type	Intent		Name
class(PC_Particles_t),	intent(inout)	::	this
class(GASSpec_t),	intent(in)	::	GAS_spec
real(kind=dp),	intent(in)	::	weights(:,:,:)	`w(J, I, i_sg)`, The weight of picking `J` after picking `I` under supergroup `i_sg`
integer,	intent(in)	::	rank_with_info	The intra-node rank that contains the weights to be used all other arr of all other ranks are ignored (and can be allocated with size 0).
logical,	intent(in)	::	use_lookup
logical,	intent(in)	::	create_lookup

procedure, public :: finalize => finalize_PC_WeightedParticles_t

private subroutine finalize_PC_WeightedParticles_t(this)

Arguments

Type	Intent	Optional	Attributes		Name
class(PC_Particles_t),	intent(inout)			::	this

procedure, public :: draw => draw_PC_WeightedParticles_t

private subroutine draw_PC_WeightedParticles_t(this, nI, ilutI, i_sg, elecs, srcs, p)

Arguments

Type	Intent		Name
class(PC_WeightedParticles_t),	intent(in)	::	this
integer,	intent(in)	::	nI(nEl)	The determinant in nI-format and the supergroup index
integer(kind=n_int),	intent(in)	::	ilutI(0:nIfD)	The determinant in bitmask format
integer,	intent(in)	::	i_sg	The determinant in nI-format and the supergroup index
integer,	intent(out)	::	elecs(2)	The chosen particles $I, J$ and their index in `nI`. It is guaranteed that `scrs(1) < srcs(2)`.
integer,	intent(out)	::	srcs(2)	The chosen particles $I, J$ and their index in `nI`. It is guaranteed that `scrs(1) < srcs(2)`.
real(kind=dp),	intent(out)	::	p	The probability of drawing $p(\{I, J\}) \Big \|_{D_i}$ . This is the probability of drawing two particles from a given determinant $D_i$ regardless of order.

procedure, public :: get_pgen => get_pgen_PC_WeightedParticles_t

private pure function get_pgen_PC_WeightedParticles_t(this, nI, i_sg, I, J) result(p)

Calculates $p(\{I, J\}) \Big |_{D_i}$

This is the probability of drawing two particles from a given determinant $D_i$ regardless of order.

Note that the unordered probability is given by the ordered probability as: $p(\{I, J\}) \Big |_{D_i} = p((I, J)) \Big |_{D_i} + p((J, I)) \Big |_{D_i} \quad.$ In addition we have $p((I, J)) \Big |_{D_i} \neq p((J, I)) \Big |_{D_i}$ so we have to actually calculate the probability of drawing two given particles in different order.

Arguments

Type	Intent		Name
class(PC_WeightedParticles_t),	intent(in)	::	this
integer,	intent(in)	::	nI(nEl)	The determinant in nI-format and the supergroup index
integer,	intent(in)	::	i_sg	The determinant in nI-format and the supergroup index
integer,	intent(in)	::	I	The particles.
integer,	intent(in)	::	J	The particles.

PC_WeightedParticles_t Derived Type

Contents

Variables

Type-Bound Procedures

type, private, extends(PC_Particles_t) :: PC_WeightedParticles_t

Contents

Variables

Type-Bound Procedures

Components

Type-Bound Procedures

procedure, public :: init => init_PC_WeightedParticles_t

private subroutine init_PC_WeightedParticles_t(this, GAS_spec, weights, rank_with_info, use_lookup, create_lookup)

Arguments

procedure, public :: finalize => finalize_PC_WeightedParticles_t

private subroutine finalize_PC_WeightedParticles_t(this)

Arguments

procedure, public :: draw => draw_PC_WeightedParticles_t

private subroutine draw_PC_WeightedParticles_t(this, nI, ilutI, i_sg, elecs, srcs, p)

Arguments

procedure, public :: get_pgen => get_pgen_PC_WeightedParticles_t

private pure function get_pgen_PC_WeightedParticles_t(this, nI, i_sg, I, J) result(p)

Arguments

Return Value real(kind=dp)