barostat_types Module Reference

Barostat structure: module containing barostat available for MD. More...

Data Types
type	barostat_type

Functions/Subroutines
subroutine, public	create_barostat_type (barostat, md_section, force_env, simpar, globenv)
	...
subroutine, public	release_barostat_type (barostat)
	...

Variables
integer, parameter, public	do_clv_geo_center = 0
integer, parameter, public	do_clv_fix_point = 1
integer, parameter, public	do_clv_xyz = 0
integer, parameter, public	do_clv_x = 1
integer, parameter, public	do_clv_y = 2
integer, parameter, public	do_clv_z = 3
integer, parameter, public	do_clv_xy = 4
integer, parameter, public	do_clv_xz = 5
integer, parameter, public	do_clv_yz = 6

Detailed Description

Barostat structure: module containing barostat available for MD.

Author

teo [tlaino] - University of Zurich - 09.2007

Function/Subroutine Documentation

create_barostat_type()

subroutine, public barostat_types::create_barostat_type	(	type(barostat_type), pointer	barostat,
		type(section_vals_type), pointer	md_section,
		type(force_env_type), pointer	force_env,
		type(simpar_type), pointer	simpar,
		type(global_environment_type), pointer	globenv
	)

...

Parameters

barostat	...
md_section	...
force_env	...
simpar	...
globenv	...

History

09.2007 created [tlaino]

Author

Teodoro Laino

Definition at line 77 of file barostat_types.F.

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release_barostat_type()

subroutine, public barostat_types::release_barostat_type

(

type(barostat_type), pointer

barostat

)

...

Parameters

barostat

...

History

09.2007 created [tlaino]

Author

Teodoro Laino

Definition at line 140 of file barostat_types.F.

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Variable Documentation

do_clv_geo_center

integer, parameter, public barostat_types::do_clv_geo_center = 0

Definition at line 36 of file barostat_types.F.

do_clv_fix_point

integer, parameter, public barostat_types::do_clv_fix_point = 1

Definition at line 36 of file barostat_types.F.

do_clv_xyz

integer, parameter, public barostat_types::do_clv_xyz = 0

Definition at line 36 of file barostat_types.F.

do_clv_x

integer, parameter, public barostat_types::do_clv_x = 1

Definition at line 36 of file barostat_types.F.

do_clv_y

integer, parameter, public barostat_types::do_clv_y = 2

Definition at line 36 of file barostat_types.F.

do_clv_z

integer, parameter, public barostat_types::do_clv_z = 3

Definition at line 36 of file barostat_types.F.

do_clv_xy

integer, parameter, public barostat_types::do_clv_xy = 4

Definition at line 36 of file barostat_types.F.

do_clv_xz

integer, parameter, public barostat_types::do_clv_xz = 5

Definition at line 36 of file barostat_types.F.

do_clv_yz

integer, parameter, public barostat_types::do_clv_yz = 6

Definition at line 36 of file barostat_types.F.