header Module Reference

Functions/Subroutines
subroutine, public	cp2k_header (iw, wdir)
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subroutine, public	cp2k_footer (iw, wdir)
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subroutine, public	qmmm_header (iw)
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subroutine, public	tddfpt_header (iw)
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subroutine, public	tddfpt_soc_header (iw)
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subroutine, public	fist_header (iw)
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subroutine, public	dftb_header (iw)
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subroutine, public	xtb_header (iw)
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subroutine, public	se_header (iw)
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subroutine, public	qs_header (iw)
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subroutine, public	atom_header (iw)
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subroutine, public	atom_footer (iw)
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subroutine, public	band_header (iw, ni, nr, np)
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subroutine, public	vib_header (iw, nr, np)
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subroutine, public	sirius_header (iw)
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subroutine, public	tmc_header (iw)
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subroutine, public	tmc_ana_header (iw)
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Detailed Description

History

none

Author

APSI & CJM & JGH

Function/Subroutine Documentation

cp2k_header()

subroutine, public header::cp2k_header	(	integer, intent(in)	iw,
		character(len=default_path_length), optional	wdir
	)

...

Parameters

iw	...
wdir	...

Definition at line 39 of file header.F.

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cp2k_footer()

subroutine, public header::cp2k_footer	(	integer, intent(in)	iw,
		character(len=default_path_length), optional	wdir
	)

...

Parameters

iw	...
wdir	...

Definition at line 68 of file header.F.

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qmmm_header()

subroutine, public header::qmmm_header

(

integer, intent(in)

iw

)

...

Parameters

iw

...

Definition at line 95 of file header.F.

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tddfpt_header()

subroutine, public header::tddfpt_header

(

integer, intent(in)

iw

)

...

Parameters

iw

...

Definition at line 121 of file header.F.

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tddfpt_soc_header()

subroutine, public header::tddfpt_soc_header

(

integer, intent(in)

iw

)

...

Parameters

iw

...

Definition at line 142 of file header.F.

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fist_header()

subroutine, public header::fist_header

(

integer, intent(in)

iw

)

...

Parameters

iw

...

Definition at line 163 of file header.F.

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dftb_header()

subroutine, public header::dftb_header

(

integer, intent(in)

iw

)

...

Parameters

iw

...

Definition at line 192 of file header.F.

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xtb_header()

subroutine, public header::xtb_header

(

integer, intent(in)

iw

)

...

Parameters

iw

...

Definition at line 215 of file header.F.

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se_header()

subroutine, public header::se_header

(

integer, intent(in)

iw

)

...

Parameters

iw

...

Definition at line 237 of file header.F.

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qs_header()

subroutine, public header::qs_header

(

integer, intent(in)

iw

)

...

Parameters

iw

...

Definition at line 261 of file header.F.

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atom_header()

subroutine, public header::atom_header

(

integer, intent(in)

iw

)

...

Parameters

iw

...

Definition at line 291 of file header.F.

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atom_footer()

subroutine, public header::atom_footer

(

integer, intent(in)

iw

)

...

Parameters

iw

...

Definition at line 313 of file header.F.

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band_header()

subroutine, public header::band_header	(	integer, intent(in)	iw,
		integer, intent(in)	ni,
		integer, intent(in)	nr,
		integer, intent(in)	np
	)

...

Parameters

iw	...
ni	...
nr	...
np	...

Definition at line 335 of file header.F.

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vib_header()

subroutine, public header::vib_header	(	integer, intent(in)	iw,
		integer, intent(in)	nr,
		integer, intent(in)	np
	)

...

Parameters

iw	...
nr	...
np	...

Definition at line 365 of file header.F.

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sirius_header()

subroutine, public header::sirius_header

(

integer, intent(in)

iw

)

...

Parameters

iw

...

Definition at line 399 of file header.F.

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tmc_header()

subroutine, public header::tmc_header

(

integer, intent(in)

iw

)

...

Parameters

iw

...

Definition at line 422 of file header.F.

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tmc_ana_header()

subroutine, public header::tmc_ana_header

(

integer, intent(in)

iw

)

...

Parameters

iw

...

Definition at line 445 of file header.F.

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