cell_types::pbc Interface Reference

Public Member Functions
real(kind=dp) function, dimension(3)	pbc1 (r, cell)
	Apply the periodic boundary conditions defined by a simulation cell to a position vector r.
real(kind=dp) function, dimension(3)	pbc2 (r, cell, nl)
	Apply the periodic boundary conditions defined by a simulation cell to a position vector r subtracting nl from the periodic images.
real(kind=dp) function, dimension(3)	pbc3 (ra, rb, cell)
	Apply the periodic boundary conditions defined by the simulation cell cell to the vector pointing from atom a to atom b.
real(kind=dp) function, dimension(3)	pbc4 (r, cell, positive_range)
	...

Detailed Description

Definition at line 92 of file cell_types.F.

Member Function/Subroutine Documentation

pbc1()

real(kind=dp) function, dimension(3) cell_types::pbc::pbc1	(	real(kind=dp), dimension(3), intent(in)	r,
		type(cell_type), pointer	cell
	)

Apply the periodic boundary conditions defined by a simulation cell to a position vector r.

Parameters

r	...
cell	...

Returns

...

Date

16.01.2002

Author

Matthias Krack

Version

1.0

Definition at line 315 of file cell_types.F.

pbc2()

real(kind=dp) function, dimension(3) cell_types::pbc::pbc2	(	real(kind=dp), dimension(3), intent(in)	r,
		type(cell_type), pointer	cell,
		integer, dimension(3), intent(in)	nl
	)

Apply the periodic boundary conditions defined by a simulation cell to a position vector r subtracting nl from the periodic images.

Parameters

r	...
cell	...
nl	...

Returns

...

Date

16.01.2002

Author

Matthias Krack

Version

1.0

Definition at line 354 of file cell_types.F.

pbc3()

real(kind=dp) function, dimension(3) cell_types::pbc::pbc3	(	real(kind=dp), dimension(3), intent(in)	ra,
		real(kind=dp), dimension(3), intent(in)	rb,
		type(cell_type), pointer	cell
	)

Apply the periodic boundary conditions defined by the simulation cell cell to the vector pointing from atom a to atom b.

Parameters

ra	...
rb	...
cell	...

Returns

...

Date

11.03.2004

Author

Matthias Krack

Version

1.0

Definition at line 397 of file cell_types.F.

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pbc4()

real(kind=dp) function, dimension(3) cell_types::pbc::pbc4	(	real(kind=dp), dimension(3), intent(in)	r,
		type(cell_type), pointer	cell,
		logical	positive_range
	)

...

Parameters

r	...
cell	...
positive_range	...

Returns

...

Definition at line 442 of file cell_types.F.

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The documentation for this interface was generated from the following file:

• subsys/cell_types.F