spx_nnps_pairs Module

NNPS 粒子对

Contents

Variables

pairs nnps_grid

Derived Types

nnps_pairs_type

Subroutines

init extend calc

Variables

Type	Visibility	Attributes		Name		Initial
type(nnps_pairs_type),	public		::	pairs			交互粒子对
type(nnps_grid2d),	public		::	nnps_grid			NNPS 网格数据结构

Derived Types

type, public ::  nnps_pairs_type

交互粒子对

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Components

Type	Visibility	Attributes		Name		Initial
integer,	public		::	len			粒子对数量
integer,	private		::	cap			向量容量
integer,	public,	pointer	::	items(:)			粒子对的2个粒子序号的数组 [(i, j), ...]
real(kind=rk),	public,	pointer	::	rdx(:)			r, dx(:)
real(kind=rk),	public,	allocatable	::	wdwdx(:,:)			w, dwdx(:)
integer,	public,	allocatable	::	contact_type(:)			接触控制类型

Type-Bound Procedures

procedure , public , :: calc Subroutine
procedure , public , :: init Subroutine
procedure , private :: extend Subroutine

Subroutines

private subroutine init(self, n)

初始化内存空间

Arguments

Type	Intent	Optional	Attributes		Name
class(nnps_pairs_type),	intent(inout)			::	self
integer,	intent(in)			::	n	粒子对容量

private subroutine extend(self, len)

拓展内存空间,

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Arguments

Type	Intent	Optional	Attributes		Name
class(nnps_pairs_type),	intent(inout)			::	self
integer,	intent(in)			::	len	粒子对容量

private subroutine calc(self, itype)

计算 dW/dX

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Arguments

Type	Intent	Optional	Attributes		Name
class(nnps_pairs_type),	intent(inout)			::	self
integer,	intent(in)			::	itype(:)	粒子类型