pint_io Module Reference

I/O subroutines for pint_env. More...

Functions/Subroutines
subroutine, public	pint_write_line (line)
	Writes out a line of text to the default output unit.
subroutine, public	pint_write_centroids (pint_env)
	Write out the trajectory of the centroid (positions and velocities)
subroutine, public	pint_write_trajectory (pint_env)
	Write out the trajectory of the beads (positions and velocities)
subroutine, public	pint_write_com (pint_env)
	Write center of mass (COM) position according to PINTPRINTCOM.
subroutine, public	pint_write_ener (pint_env)
	Writes out the energies according to PINTPRINTENERGY.
subroutine, public	pint_write_action (pint_env)
	Writes out the actions according to PINTPRINTACTION.
subroutine, public	pint_write_step_info (pint_env)
	Write step info to the output file.
subroutine, public	pint_write_rgyr (pint_env)
	Write radii of gyration according to PINTPRINTCENTROID_GYR.

Detailed Description

I/O subroutines for pint_env.

Author

Lukasz Walewski

Date

2009-06-04

Function/Subroutine Documentation

pint_write_line()

subroutine, public pint_io::pint_write_line

(

character(len=*), intent(in)

line

)

Writes out a line of text to the default output unit.

Parameters

line

...

Date

2009-07-10

Author

Lukasz Walewski

Definition at line 75 of file pint_io.F.

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pint_write_centroids()

subroutine, public pint_io::pint_write_centroids

(

type(pint_env_type), intent(in)

pint_env

)

Write out the trajectory of the centroid (positions and velocities)

Parameters

pint_env

...

History

various bug fixes - hforbert 2010-11-25 rewritten, added support for velocity printing, calc of the stddev of the beads turned off [lwalewski]

Author

fawzi

Definition at line 103 of file pint_io.F.

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pint_write_trajectory()

subroutine, public pint_io::pint_write_trajectory

(

type(pint_env_type), intent(in)

pint_env

)

Write out the trajectory of the beads (positions and velocities)

Parameters

pint_env

...

History

2010-11-25 added support for velocity printing [lwalewski]

Author

hforbert

Definition at line 258 of file pint_io.F.

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pint_write_com()

subroutine, public pint_io::pint_write_com

(

type(pint_env_type), intent(in)

pint_env

)

Write center of mass (COM) position according to PINTPRINTCOM.

Parameters

pint_env

...

Date

2010-02-17

Author

Lukasz Walewski

Definition at line 414 of file pint_io.F.

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pint_write_ener()

subroutine, public pint_io::pint_write_ener

(

type(pint_env_type), intent(in)

pint_env

)

Writes out the energies according to PINTPRINTENERGY.

Parameters

pint_env

path integral environment

History

various bug fixes [hforbert] 2009-11-16 energy components calc moved out of here [lwalewski]

Author

fawzi

Definition at line 480 of file pint_io.F.

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pint_write_action()

subroutine, public pint_io::pint_write_action

(

type(pint_env_type), intent(in)

pint_env

)

Writes out the actions according to PINTPRINTACTION.

Parameters

pint_env

path integral environment

Author

Felix Uhl

Definition at line 556 of file pint_io.F.

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pint_write_step_info()

subroutine, public pint_io::pint_write_step_info

(

type(pint_env_type), intent(in)

pint_env

)

Write step info to the output file.

Parameters

pint_env

...

Date

2009-11-16

History

2010-01-27 getting default unit nr now only on ionode [lwalewski]

Author

Lukasz Walewski

Definition at line 619 of file pint_io.F.

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pint_write_rgyr()

subroutine, public pint_io::pint_write_rgyr

(

type(pint_env_type), intent(in)

pint_env

)

Write radii of gyration according to PINTPRINTCENTROID_GYR.

Parameters

pint_env

...

Date

2011-01-07

Author

Lukasz Walewski

Definition at line 674 of file pint_io.F.

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