constraint_3x3 Module Reference

Functions/Subroutines
subroutine, public	shake_3x3_int (molecule, particle_set, pos, vel, dt, ishake, max_sigma)
	...
subroutine, public	shake_roll_3x3_int (molecule, particle_set, pos, vel, r_shake, v_shake, dt, ishake, max_sigma)
	...
subroutine, public	rattle_roll_3x3_int (molecule, particle_set, vel, r_rattle, dt, veps)
	...
subroutine, public	rattle_3x3_int (molecule, particle_set, vel, dt)
	...
subroutine, public	shake_3x3_ext (gci, particle_set, pos, vel, dt, ishake, max_sigma)
	...
subroutine, public	shake_roll_3x3_ext (gci, particle_set, pos, vel, r_shake, v_shake, dt, ishake, max_sigma)
	...
subroutine, public	rattle_roll_3x3_ext (gci, particle_set, vel, r_rattle, dt, veps)
	...
subroutine, public	rattle_3x3_ext (gci, particle_set, vel, dt)
	...

Detailed Description

History

none

Function/Subroutine Documentation

shake_3x3_int()

subroutine, public constraint_3x3::shake_3x3_int	(	type(molecule_type), pointer	molecule,
		type(particle_type), dimension(:), pointer	particle_set,
		real(kind=dp), dimension(:, :), intent(inout)	pos,
		real(kind=dp), dimension(:, :), intent(inout)	vel,
		real(kind=dp), intent(in)	dt,
		integer, intent(in)	ishake,
		real(kind=dp), intent(inout)	max_sigma )

...

Parameters

molecule	...
particle_set	...
pos	...
vel	...
dt	...
ishake	...
max_sigma	...

History

none

Definition at line 58 of file constraint_3x3.F.

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shake_roll_3x3_int()

subroutine, public constraint_3x3::shake_roll_3x3_int	(	type(molecule_type), pointer	molecule,
		type(particle_type), dimension(:), pointer	particle_set,
		real(kind=dp), dimension(:, :), intent(inout)	pos,
		real(kind=dp), dimension(:, :), intent(inout)	vel,
		real(kind=dp), dimension(:, :), intent(in)	r_shake,
		real(kind=dp), dimension(:, :), intent(in)	v_shake,
		real(kind=dp), intent(in)	dt,
		integer, intent(in)	ishake,
		real(kind=dp), intent(inout)	max_sigma )

...

Parameters

molecule	...
particle_set	...
pos	...
vel	...
r_shake	...
v_shake	...
dt	...
ishake	...
max_sigma	...

History

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Definition at line 99 of file constraint_3x3.F.

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rattle_roll_3x3_int()

subroutine, public constraint_3x3::rattle_roll_3x3_int	(	type(molecule_type), pointer	molecule,
		type(particle_type), dimension(:), pointer	particle_set,
		real(kind=dp), dimension(:, :), intent(inout)	vel,
		real(kind=dp), dimension(:, :), intent(in)	r_rattle,
		real(kind=dp), intent(in)	dt,
		real(kind=dp), dimension(:, :), intent(in)	veps )

...

Parameters

molecule	...
particle_set	...
vel	...
r_rattle	...
dt	...
veps	...

History

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Definition at line 138 of file constraint_3x3.F.

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rattle_3x3_int()

subroutine, public constraint_3x3::rattle_3x3_int	(	type(molecule_type), pointer	molecule,
		type(particle_type), dimension(:), pointer	particle_set,
		real(kind=dp), dimension(:, :), intent(inout)	vel,
		real(kind=dp), intent(in)	dt )

...

Parameters

molecule	...
particle_set	...
vel	...
dt	...

History

none

Definition at line 173 of file constraint_3x3.F.

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shake_3x3_ext()

subroutine, public constraint_3x3::shake_3x3_ext	(	type(global_constraint_type), pointer	gci,
		type(particle_type), dimension(:), pointer	particle_set,
		real(kind=dp), dimension(:, :), intent(inout)	pos,
		real(kind=dp), dimension(:, :), intent(inout)	vel,
		real(kind=dp), intent(in)	dt,
		integer, intent(in)	ishake,
		real(kind=dp), intent(inout)	max_sigma )

...

Parameters

gci	...
particle_set	...
pos	...
vel	...
dt	...
ishake	...
max_sigma	...

History

none

Definition at line 209 of file constraint_3x3.F.

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shake_roll_3x3_ext()

subroutine, public constraint_3x3::shake_roll_3x3_ext	(	type(global_constraint_type), pointer	gci,
		type(particle_type), dimension(:), pointer	particle_set,
		real(kind=dp), dimension(:, :), intent(inout)	pos,
		real(kind=dp), dimension(:, :), intent(inout)	vel,
		real(kind=dp), dimension(:, :), intent(in)	r_shake,
		real(kind=dp), dimension(:, :), intent(in)	v_shake,
		real(kind=dp), intent(in)	dt,
		integer, intent(in)	ishake,
		real(kind=dp), intent(inout)	max_sigma )

...

Parameters

gci	...
particle_set	...
pos	...
vel	...
r_shake	...
v_shake	...
dt	...
ishake	...
max_sigma	...

History

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Definition at line 249 of file constraint_3x3.F.

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rattle_roll_3x3_ext()

subroutine, public constraint_3x3::rattle_roll_3x3_ext	(	type(global_constraint_type), pointer	gci,
		type(particle_type), dimension(:), pointer	particle_set,
		real(kind=dp), dimension(:, :), intent(inout)	vel,
		real(kind=dp), dimension(:, :), intent(in)	r_rattle,
		real(kind=dp), intent(in)	dt,
		real(kind=dp), dimension(:, :), intent(in)	veps )

...

Parameters

gci	...
particle_set	...
vel	...
r_rattle	...
dt	...
veps	...

History

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Definition at line 287 of file constraint_3x3.F.

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rattle_3x3_ext()

subroutine, public constraint_3x3::rattle_3x3_ext	(	type(global_constraint_type), pointer	gci,
		type(particle_type), dimension(:), pointer	particle_set,
		real(kind=dp), dimension(:, :), intent(inout)	vel,
		real(kind=dp), intent(in)	dt )

...

Parameters

gci	...
particle_set	...
vel	...
dt	...

History

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Definition at line 320 of file constraint_3x3.F.

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