config_io_m Module

Routines for IO of config and dump files.

Uses

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Used by

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Contents

Subroutines

read_dump write_dump read_config write_config write_ldf write_xyz

Subroutines

public subroutine read_dump(nts, simbox, atc, fn)

Reads from DUMP file

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=ip_long),	intent(out)			::	nts
type(smbx_t),	intent(out)			::	simbox
type(atmcfg_t),	intent(out)			::	atc
character(len=*),	intent(in)			::	fn

public subroutine write_dump(nts, simbox, atc, fn)

Writes to DUMP file.

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=ip_long),	intent(in)			::	nts
type(smbx_t),	intent(in)			::	simbox
type(atmcfg_t),	intent(in)			::	atc
character(len=*),	intent(in)			::	fn

public subroutine read_config(simbox, atc, fn)

Read from CONFIG file

Arguments

Type	Intent	Optional	Attributes		Name
type(smbx_t),	intent(out)			::	simbox
type(atmcfg_t),	intent(out)			::	atc
character(len=*),	intent(in)			::	fn

public subroutine write_config(simbox, atc, fn, title)

Write to cfg file

Arguments

Type	Intent	Optional	Attributes		Name
type(smbx_t),	intent(in)			::	simbox
type(atmcfg_t),	intent(in)			::	atc
character(len=*),	intent(in)			::	fn
character(len=*),	intent(in)			::	title

public subroutine write_ldf(simbox, atc, fn_ld, title)

Write to a LAMMPS data file.

Arguments

Type	Intent	Optional	Attributes		Name
type(smbx_t),	intent(in)			::	simbox
type(atmcfg_t),	intent(in)			::	atc
character(len=*),	intent(in)			::	fn_ld	Name of the file
character(len=*),	intent(in)			::	title	Title of the configuation

public subroutine write_xyz(atc, fn_xyz, title)

Write to an XYZ file.

Arguments

Type	Intent	Optional	Attributes		Name
type(atmcfg_t),	intent(in)			::	atc
character(len=*),	intent(in)			::	fn_xyz	Name of the XYZ file
character(len=*),	intent(in)			::	title	Title (for the configuration)