collects all references to literature in CP2K as new algorithms / method are included from literature sources we add a citation, to give credit to the authors (often ourselves, but this need not to be the case), and as a form of documentation. More...

Functions/Subroutines
subroutine, public	add_all_references ()
	adds references that can later be cited / printed using the key

Variables
integer, save, public	richters2018
integer, save, public	vandevondele2005a
integer, save, public	vandevondele2003
integer, save, public	laino2005
integer, save, public	laino2006
integer, save, public	goedecker1996
integer, save, public	hartwigsen1998
integer, save, public	krack2005
integer, save, public	lippert1997
integer, save, public	lippert1999
integer, save, public	krack2000
integer, save, public	krack2002
integer, save, public	iannuzzi2005
integer, save, public	iannuzzi2006
integer, save, public	iannuzzi2007
integer, save, public	toukmaji1996
integer, save, public	martyna1999
integer, save, public	vandevondele2005b
integer, save, public	perdew1981
integer, save, public	avezac2005
integer, save, public	porezag1995
integer, save, public	seifert1996
integer, save, public	elstner1998
integer, save, public	zhechkov2005
integer, save, public	henkelman1999
integer, save, public	henkelman2014
integer, save, public	frigo2005
integer, save, public	nose1984a
integer, save, public	nose1984b
integer, save, public	brelaz1979
integer, save, public	bussi2007
integer, save, public	genovese2006
integer, save, public	genovese2007
integer, save, public	evans1983
integer, save, public	minary2003
integer, save, public	byrd1995
integer, save, public	vandevondele2007
integer, save, public	ortiz1994
integer, save, public	becke1988
integer, save, public	perdew1996
integer, save, public	zhang1998
integer, save, public	perdew2008
integer, save, public	lee1988
integer, save, public	heyd2006
integer, save, public	vydrov2006
integer, save, public	heyd2003
integer, save, public	heyd2004
integer, save, public	vosko1980
integer, save, public	aguado2003
integer, save, public	essmann1995
integer, save, public	ewald1921
integer, save, public	darden1993
integer, save, public	bazant1996
integer, save, public	bazant1997
integer, save, public	goedecker2002
integer, save, public	lenosky2000
integer, save, public	siepmann1995
integer, save, public	stillinger1985
integer, save, public	tersoff1988
integer, save, public	tosi1964a
integer, save, public	tosi1964b
integer, save, public	yamada2000
integer, save, public	dudarev1997
integer, save, public	dudarev1998
integer, save, public	dewar1977
integer, save, public	dewar1985
integer, save, public	rocha2006
integer, save, public	stewart1989
integer, save, public	thiel1992
integer, save, public	repasky2002
integer, save, public	stewart2007
integer, save, public	weber2008
integer, save, public	hunt2003
integer, save, public	guidon2008
integer, save, public	elber1987
integer, save, public	jonsson1998
integer, save, public	jonsson2000_1
integer, save, public	jonsson2000_2
integer, save, public	wales2004
integer, save, public	stewart1982
integer, save, public	e2002
integer, save, public	laino2008
integer, save, public	blochl1995
integer, save, public	tao2003
integer, save, public	vandevondele2006
integer, save, public	vanvoorhis2015
integer, save, public	hu2007
integer, save, public	hu2010
integer, save, public	grimme2006
integer, save, public	chai2008
integer, save, public	branduardi2007
integer, save, public	schenter2008
integer, save, public	beckeroussel1989
integer, save, public	proynov2007
integer, save, public	vandencic2006
integer, save, public	becke1997
integer, save, public	foiles1986
integer, save, public	ricci2003
integer, save, public	kolafa2004
integer, save, public	kuhne2007
integer, save, public	kunert2003
integer, save, public	ceriotti2009
integer, save, public	ceriotti2009b
integer, save, public	guidon2009
integer, save, public	barducbus2008
integer, save, public	grimme2010
integer, save, public	guidon2010
integer, save, public	marques2012
integer, save, public	jones2011
integer, save, public	bernstein2009
integer, save, public	bernstein2012
integer, save, public	dick1958
integer, save, public	mitchell1993
integer, save, public	devynck2012
integer, save, public	vandevondele2012
integer, save, public	niklasson2003
integer, save, public	shao2003
integer, save, public	vandevondele2002
integer, save, public	dion2004
integer, save, public	romanperez2009
integer, save, public	delben2012
integer, save, public	sabatini2013
integer, save, public	delben2013
integer, save, public	kikuchi2009
integer, save, public	putrino2000
integer, save, public	putrino2002
integer, save, public	sebastiani2001
integer, save, public	weber2009
integer, save, public	tran2013
integer, save, public	golze2013
integer, save, public	golze2015
integer, save, public	golze2017a
integer, save, public	golze2017b
integer, save, public	tuckerman1992
integer, save, public	zhao1994
integer, save, public	tozer1996
integer, save, public	goedecker2004
integer, save, public	rengaraj2020
integer, save, public	khaliullin2013
integer, save, public	kruse2012
integer, save, public	hutter2014
integer, save, public	bengtsson1999
integer, save, public	kantorovich2008
integer, save, public	kantorovich2008a
integer, save, public	wellendorff2012
integer, save, public	niklasson2014
integer, save, public	borstnik2014
integer, save, public	rayson2009
integer, save, public	grimme2011
integer, save, public	grimme2015fod
integer, save, public	fattebert2002
integer, save, public	andreussi2012
integer, save, public	khaliullin2007
integer, save, public	khaliullin2008
integer, save, public	merlot2014
integer, save, public	lin2009
integer, save, public	lin2013
integer, save, public	lin2016ace
integer, save, public	batzner2022
integer, save, public	batatia2022
integer, save, public	delben2015
integer, save, public	souza2002
integer, save, public	umari2002
integer, save, public	stengel2009
integer, save, public	luber2014
integer, save, public	berghold2011
integer, save, public	delben2015b
integer, save, public	campana2009
integer, save, public	schiffmann2015
integer, save, public	bruck2014
integer, save, public	rappe1992
integer, save, public	ceriotti2012
integer, save, public	ceriotti2010
integer, save, public	walewski2014
integer, save, public	monkhorst1976
integer, save, public	macdonald1978
integer, save, public	worlton1972
integer, save, public	gilbert2008
integer, save, public	schonherr2014
integer, save, public	ceriotti2014
integer, save, public	banihashemian2016
integer, save, public	kapil2016
integer, save, public	heinzmann1976
integer, save, public	ehrhardt1985
integer, save, public	rybkin2016
integer, save, public	west2006
integer, save, public	bates2013
integer, save, public	andermatt2016
integer, save, public	zhu2016
integer, save, public	schuett2016
integer, save, public	lu2004
integer, save, public	becke1988b
integer, save, public	migliore2009
integer, save, public	mavros2015
integer, save, public	holmberg2017
integer, save, public	marek2014
integer, save, public	stoychev2016
integer, save, public	futera2017
integer, save, public	bailey2006
integer, save, public	papior2017
integer, save, public	lehtola2018
integer, save, public	brieuc2016
integer, save, public	barca2018
integer, save, public	scheiber2018
integer, save, public	huang2011
integer, save, public	heaton_burgess2007
integer, save, public	schuett2018
integer, save, public	holmberg2018
integer, save, public	togo2018
integer, save, public	staub2019
integer, save, public	grimme2013
integer, save, public	grimme2016
integer, save, public	grimme2017
integer, save, public	asgeirsson2017
integer, save, public	bannwarth2019
integer, save, public	katbashev2025
integer, save, public	kondov2007
integer, save, public	clabaut2020
integer, save, public	clabaut2021
integer, save, public	ren2011
integer, save, public	ren2013
integer, save, public	cohen2000
integer, save, public	rogers2002
integer, save, public	filippetti2000
integer, save, public	limpanuparb2011
integer, save, public	martin2003
integer, save, public	yin2017
integer, save, public	goerigk2017
integer, save, public	wilhelm2016a
integer, save, public	wilhelm2016b
integer, save, public	wilhelm2017
integer, save, public	wilhelm2018
integer, save, public	wilhelm2021
integer, save, public	lass2018
integer, save, public	cp2kqs2020
integer, save, public	iannuzzi2026
integer, save, public	behler2007
integer, save, public	behler2011
integer, save, public	schran2020a
integer, save, public	schran2020b
integer, save, public	rycroft2009
integer, save, public	thomas2015
integer, save, public	brehm2018
integer, save, public	brehm2020
integer, save, public	shigeta2001
integer, save, public	heinecke2016
integer, save, public	brehm2021
integer, save, public	bussy2021a
integer, save, public	bussy2021b
integer, save, public	ditler2021
integer, save, public	ditler2022
integer, save, public	mattiat2019
integer, save, public	mattiat2022
integer, save, public	belleflamme2023
integer, save, public	knizia2013
integer, save, public	musaelian2023
integer, save, public	eriksen2020
integer, save, public	bussy2023
integer, save, public	bussy2024
integer, save, public	wang2018
integer, save, public	zeng2023
integer, save, public	graml2024
integer, save, public	solca2024
integer, save, public	caldeweyher2017
integer, save, public	caldeweyher2019
integer, save, public	caldeweyher2020
integer, save, public	wittmann2024
integer, save, public	freeman1977
integer, save, public	gruneis2009
integer, save, public	blaha2010
integer, save, public	kressefurthmueller1996
integer, save, public	stein2022
integer, save, public	stein2024
integer, save, public	pracht2019
integer, save, public	blase2018
integer, save, public	blase2020
integer, save, public	bruneval2015
integer, save, public	golze2019
integer, save, public	gui2018
integer, save, public	jacquemin2017
integer, save, public	liu2020
integer, save, public	sander2015
integer, save, public	schreiber2008
integer, save, public	vansetten2015
integer, save, public	setyawan2010
integer, save, public	ahart2024
integer, save, public	knysh2024
integer, save, public	schambeck2024
integer, save, public	mewes2018
integer, save, public	sertcan2024
integer, save, public	drautz2019
integer, save, public	lysogorskiy2021
integer, save, public	bochkarev2024
integer, save, public	vazdacruz2021
integer, save, public	chen2025
integer, save, public	hernandez2025
integer, save, public	marek2025
integer, save, public	hehn2022
integer, save, public	hehn2024
integer, save, public	pasquier2025
integer, save, public	hedin1965
integer, save, public	hybertsen1986
integer, save, public	tyagi2024
integer, save, public	tyagi2026
integer, save, public	hanasaki2025
integer, save, public	graml2026
integer, save, public	tan2025
integer, save, public	broyden1965
integer, save, public	johnson1988
integer, save, public	kerker1981
integer, save, public	fuho1983
integer, save, public	methfesselpaxton1989
integer, save, public	marzari1999
integer, save, public	dossantos2023
integer, save, public	mermin1965
integer, save, public	kuhneheskeprodan2020
integer, save, public	schreder2021
integer, save, public	schreder2024_1
integer, save, public	schreder2024_2
integer, save, public	shiga2022
integer, save, public	lindh1995
integer, save, public	chai2024a
integer, save, public	rullan2026
integer, save, public	sundararaman2017
integer, save, public	andreussi2019
integer, save, public	chai2025a
integer, save, public	neugebauer2023
integer, save, public	chai2024b
integer, save, public	moynihan2017
integer, save, public	cococcioni2005
integer, save, public	cances2000
integer, save, public	herbst2022
integer, save, public	zhang2025
integer, save, public	gresch2017
integer, save, public	soluyanov2011
integer, save, public	dixon2023
integer, save, public	doll2025
integer, save, public	wong2026
integer, save, public	loring2015
integer, save, public	esteveparedes2023
integer, save, public	cerjan2023
integer, save, public	bairnsfather2026
integer, save, public	davidson1975
integer, save, public	olsen1988
integer, save, public	stratmann1998
integer, save, public	vecharynski2017
integer, save, public	stathopoulos1998
integer, save, public	bai2012
integer, save, public	fukaya2014
integer, save, public	schreder2024_3
integer, save, public	pizzi2020
integer, save, public	marzari1997
integer, save, public	souza2001

Detailed Description

collects all references to literature in CP2K as new algorithms / method are included from literature sources we add a citation, to give credit to the authors (often ourselves, but this need not to be the case), and as a form of documentation.

add references here as an easy way to cite these references from the code (e.g., whenever the relevant part of the code is executed) and to add citations to the input at the end of the run a bibliography is printed that can be used, e.g., in papers

Author: Joost VandeVondele

Function/Subroutine Documentation

◆ add_all_references()

subroutine, public bibliography::add_all_references

adds references that can later be cited / printed using the key

History: 08.2007 created [Joost VandeVondele]

Note

please add DOI whenever available, this will result in a clickable link in the input reference manual.
please provide for journal articles:
- all author names, abbreviate the first names
- the title of the article
- the abbreviated journal name (please use the ISO4 standard)
- volume
- pages (in case there is starting and end page: please provide start page-end page; in case there is article number, e.g. J. Chem. Phys, Phys. Rev., then provide the article number)

Definition at line 125 of file bibliography.F.

Here is the call graph for this function:

Here is the caller graph for this function:

Variable Documentation

◆ richters2018

integer, save, public bibliography::richters2018

Definition at line 36 of file bibliography.F.

◆ vandevondele2005a

integer, save, public bibliography::vandevondele2005a

Definition at line 36 of file bibliography.F.

◆ vandevondele2003

integer, save, public bibliography::vandevondele2003

Definition at line 36 of file bibliography.F.

◆ laino2005

integer, save, public bibliography::laino2005

Definition at line 36 of file bibliography.F.

◆ laino2006

integer, save, public bibliography::laino2006

Definition at line 36 of file bibliography.F.

◆ goedecker1996

integer, save, public bibliography::goedecker1996

Definition at line 36 of file bibliography.F.

◆ hartwigsen1998

integer, save, public bibliography::hartwigsen1998

Definition at line 36 of file bibliography.F.

◆ krack2005

integer, save, public bibliography::krack2005

Definition at line 36 of file bibliography.F.

◆ lippert1997

integer, save, public bibliography::lippert1997

Definition at line 36 of file bibliography.F.

◆ lippert1999

integer, save, public bibliography::lippert1999

Definition at line 36 of file bibliography.F.

◆ krack2000

integer, save, public bibliography::krack2000

Definition at line 36 of file bibliography.F.

◆ krack2002

integer, save, public bibliography::krack2002

Definition at line 36 of file bibliography.F.

◆ iannuzzi2005

integer, save, public bibliography::iannuzzi2005

Definition at line 36 of file bibliography.F.

◆ iannuzzi2006

integer, save, public bibliography::iannuzzi2006

Definition at line 36 of file bibliography.F.

◆ iannuzzi2007

integer, save, public bibliography::iannuzzi2007

Definition at line 36 of file bibliography.F.

◆ toukmaji1996

integer, save, public bibliography::toukmaji1996

Definition at line 36 of file bibliography.F.

◆ martyna1999

integer, save, public bibliography::martyna1999

Definition at line 36 of file bibliography.F.

◆ vandevondele2005b

integer, save, public bibliography::vandevondele2005b

Definition at line 36 of file bibliography.F.

◆ perdew1981

integer, save, public bibliography::perdew1981

Definition at line 36 of file bibliography.F.

◆ avezac2005

integer, save, public bibliography::avezac2005

Definition at line 36 of file bibliography.F.

◆ porezag1995

integer, save, public bibliography::porezag1995

Definition at line 36 of file bibliography.F.

◆ seifert1996

integer, save, public bibliography::seifert1996

Definition at line 36 of file bibliography.F.

◆ elstner1998

integer, save, public bibliography::elstner1998

Definition at line 36 of file bibliography.F.

◆ zhechkov2005

integer, save, public bibliography::zhechkov2005

Definition at line 36 of file bibliography.F.

◆ henkelman1999

integer, save, public bibliography::henkelman1999

Definition at line 36 of file bibliography.F.

◆ henkelman2014

integer, save, public bibliography::henkelman2014

Definition at line 36 of file bibliography.F.

◆ frigo2005

integer, save, public bibliography::frigo2005

Definition at line 36 of file bibliography.F.

◆ nose1984a

integer, save, public bibliography::nose1984a

Definition at line 36 of file bibliography.F.

◆ nose1984b

integer, save, public bibliography::nose1984b

Definition at line 36 of file bibliography.F.

◆ brelaz1979

integer, save, public bibliography::brelaz1979

Definition at line 36 of file bibliography.F.

◆ bussi2007

integer, save, public bibliography::bussi2007

Definition at line 36 of file bibliography.F.

◆ genovese2006

integer, save, public bibliography::genovese2006

Definition at line 36 of file bibliography.F.

◆ genovese2007

integer, save, public bibliography::genovese2007

Definition at line 36 of file bibliography.F.

◆ evans1983

integer, save, public bibliography::evans1983

Definition at line 36 of file bibliography.F.

◆ minary2003

integer, save, public bibliography::minary2003

Definition at line 36 of file bibliography.F.

◆ byrd1995

integer, save, public bibliography::byrd1995

Definition at line 36 of file bibliography.F.

◆ vandevondele2007

integer, save, public bibliography::vandevondele2007

Definition at line 36 of file bibliography.F.

◆ ortiz1994

integer, save, public bibliography::ortiz1994

Definition at line 36 of file bibliography.F.

◆ becke1988

integer, save, public bibliography::becke1988

Definition at line 36 of file bibliography.F.

◆ perdew1996

integer, save, public bibliography::perdew1996

Definition at line 36 of file bibliography.F.

◆ zhang1998

integer, save, public bibliography::zhang1998

Definition at line 36 of file bibliography.F.

◆ perdew2008

integer, save, public bibliography::perdew2008

Definition at line 36 of file bibliography.F.

◆ lee1988

integer, save, public bibliography::lee1988

Definition at line 36 of file bibliography.F.

◆ heyd2006

integer, save, public bibliography::heyd2006

Definition at line 36 of file bibliography.F.

◆ vydrov2006

integer, save, public bibliography::vydrov2006

Definition at line 36 of file bibliography.F.

◆ heyd2003

integer, save, public bibliography::heyd2003

Definition at line 36 of file bibliography.F.

◆ heyd2004

integer, save, public bibliography::heyd2004

Definition at line 36 of file bibliography.F.

◆ vosko1980

integer, save, public bibliography::vosko1980

Definition at line 36 of file bibliography.F.

◆ aguado2003

integer, save, public bibliography::aguado2003

Definition at line 36 of file bibliography.F.

◆ essmann1995

integer, save, public bibliography::essmann1995

Definition at line 36 of file bibliography.F.

◆ ewald1921

integer, save, public bibliography::ewald1921

Definition at line 36 of file bibliography.F.

◆ darden1993

integer, save, public bibliography::darden1993

Definition at line 36 of file bibliography.F.

◆ bazant1996

integer, save, public bibliography::bazant1996

Definition at line 36 of file bibliography.F.

◆ bazant1997

integer, save, public bibliography::bazant1997

Definition at line 36 of file bibliography.F.

◆ goedecker2002

integer, save, public bibliography::goedecker2002

Definition at line 36 of file bibliography.F.

◆ lenosky2000

integer, save, public bibliography::lenosky2000

Definition at line 36 of file bibliography.F.

◆ siepmann1995

integer, save, public bibliography::siepmann1995

Definition at line 36 of file bibliography.F.

◆ stillinger1985

integer, save, public bibliography::stillinger1985

Definition at line 36 of file bibliography.F.

◆ tersoff1988

integer, save, public bibliography::tersoff1988

Definition at line 36 of file bibliography.F.

◆ tosi1964a

integer, save, public bibliography::tosi1964a

Definition at line 36 of file bibliography.F.

◆ tosi1964b

integer, save, public bibliography::tosi1964b

Definition at line 36 of file bibliography.F.

◆ yamada2000

integer, save, public bibliography::yamada2000

Definition at line 36 of file bibliography.F.

◆ dudarev1997

integer, save, public bibliography::dudarev1997

Definition at line 36 of file bibliography.F.

◆ dudarev1998

integer, save, public bibliography::dudarev1998

Definition at line 36 of file bibliography.F.

◆ dewar1977

integer, save, public bibliography::dewar1977

Definition at line 36 of file bibliography.F.

◆ dewar1985

integer, save, public bibliography::dewar1985

Definition at line 36 of file bibliography.F.

◆ rocha2006

integer, save, public bibliography::rocha2006

Definition at line 36 of file bibliography.F.

◆ stewart1989

integer, save, public bibliography::stewart1989

Definition at line 36 of file bibliography.F.

◆ thiel1992

integer, save, public bibliography::thiel1992

Definition at line 36 of file bibliography.F.

◆ repasky2002

integer, save, public bibliography::repasky2002

Definition at line 36 of file bibliography.F.

◆ stewart2007

integer, save, public bibliography::stewart2007

Definition at line 36 of file bibliography.F.

◆ weber2008

integer, save, public bibliography::weber2008

Definition at line 36 of file bibliography.F.

◆ hunt2003

integer, save, public bibliography::hunt2003

Definition at line 36 of file bibliography.F.

◆ guidon2008

integer, save, public bibliography::guidon2008

Definition at line 36 of file bibliography.F.

◆ elber1987

integer, save, public bibliography::elber1987

Definition at line 36 of file bibliography.F.

◆ jonsson1998

integer, save, public bibliography::jonsson1998

Definition at line 36 of file bibliography.F.

◆ jonsson2000_1

integer, save, public bibliography::jonsson2000_1

Definition at line 36 of file bibliography.F.

◆ jonsson2000_2

integer, save, public bibliography::jonsson2000_2

Definition at line 36 of file bibliography.F.

◆ wales2004

integer, save, public bibliography::wales2004

Definition at line 36 of file bibliography.F.

◆ stewart1982

integer, save, public bibliography::stewart1982

Definition at line 36 of file bibliography.F.

◆ e2002

integer, save, public bibliography::e2002

Definition at line 36 of file bibliography.F.

◆ laino2008

integer, save, public bibliography::laino2008

Definition at line 36 of file bibliography.F.

◆ blochl1995

integer, save, public bibliography::blochl1995

Definition at line 36 of file bibliography.F.

◆ tao2003

integer, save, public bibliography::tao2003

Definition at line 36 of file bibliography.F.

◆ vandevondele2006

integer, save, public bibliography::vandevondele2006

Definition at line 36 of file bibliography.F.

◆ vanvoorhis2015

integer, save, public bibliography::vanvoorhis2015

Definition at line 36 of file bibliography.F.

◆ hu2007

integer, save, public bibliography::hu2007

Definition at line 36 of file bibliography.F.

◆ hu2010

integer, save, public bibliography::hu2010

Definition at line 36 of file bibliography.F.

◆ grimme2006

integer, save, public bibliography::grimme2006

Definition at line 36 of file bibliography.F.

◆ chai2008

integer, save, public bibliography::chai2008

Definition at line 36 of file bibliography.F.

◆ branduardi2007

integer, save, public bibliography::branduardi2007

Definition at line 36 of file bibliography.F.

◆ schenter2008

integer, save, public bibliography::schenter2008

Definition at line 36 of file bibliography.F.

◆ beckeroussel1989

integer, save, public bibliography::beckeroussel1989

Definition at line 36 of file bibliography.F.

◆ proynov2007

integer, save, public bibliography::proynov2007

Definition at line 36 of file bibliography.F.

◆ vandencic2006

integer, save, public bibliography::vandencic2006

Definition at line 36 of file bibliography.F.

◆ becke1997

integer, save, public bibliography::becke1997

Definition at line 36 of file bibliography.F.

◆ foiles1986

integer, save, public bibliography::foiles1986

Definition at line 36 of file bibliography.F.

◆ ricci2003

integer, save, public bibliography::ricci2003

Definition at line 36 of file bibliography.F.

◆ kolafa2004

integer, save, public bibliography::kolafa2004

Definition at line 36 of file bibliography.F.

◆ kuhne2007

integer, save, public bibliography::kuhne2007

Definition at line 36 of file bibliography.F.

◆ kunert2003

integer, save, public bibliography::kunert2003

Definition at line 36 of file bibliography.F.

◆ ceriotti2009

integer, save, public bibliography::ceriotti2009

Definition at line 36 of file bibliography.F.

◆ ceriotti2009b

integer, save, public bibliography::ceriotti2009b

Definition at line 36 of file bibliography.F.

◆ guidon2009

integer, save, public bibliography::guidon2009

Definition at line 36 of file bibliography.F.

◆ barducbus2008

integer, save, public bibliography::barducbus2008

Definition at line 36 of file bibliography.F.

◆ grimme2010

integer, save, public bibliography::grimme2010

Definition at line 36 of file bibliography.F.

◆ guidon2010

integer, save, public bibliography::guidon2010

Definition at line 36 of file bibliography.F.

◆ marques2012

integer, save, public bibliography::marques2012

Definition at line 36 of file bibliography.F.

◆ jones2011

integer, save, public bibliography::jones2011

Definition at line 36 of file bibliography.F.

◆ bernstein2009

integer, save, public bibliography::bernstein2009

Definition at line 36 of file bibliography.F.

◆ bernstein2012

integer, save, public bibliography::bernstein2012

Definition at line 36 of file bibliography.F.

◆ dick1958

integer, save, public bibliography::dick1958

Definition at line 36 of file bibliography.F.

◆ mitchell1993

integer, save, public bibliography::mitchell1993

Definition at line 36 of file bibliography.F.

◆ devynck2012

integer, save, public bibliography::devynck2012

Definition at line 36 of file bibliography.F.

◆ vandevondele2012

integer, save, public bibliography::vandevondele2012

Definition at line 36 of file bibliography.F.

◆ niklasson2003

integer, save, public bibliography::niklasson2003

Definition at line 36 of file bibliography.F.

◆ shao2003

integer, save, public bibliography::shao2003

Definition at line 36 of file bibliography.F.

◆ vandevondele2002

integer, save, public bibliography::vandevondele2002

Definition at line 36 of file bibliography.F.

◆ dion2004

integer, save, public bibliography::dion2004

Definition at line 36 of file bibliography.F.

◆ romanperez2009

integer, save, public bibliography::romanperez2009

Definition at line 36 of file bibliography.F.

◆ delben2012

integer, save, public bibliography::delben2012

Definition at line 36 of file bibliography.F.

◆ sabatini2013

integer, save, public bibliography::sabatini2013

Definition at line 36 of file bibliography.F.

◆ delben2013

integer, save, public bibliography::delben2013

Definition at line 36 of file bibliography.F.

◆ kikuchi2009

integer, save, public bibliography::kikuchi2009

Definition at line 36 of file bibliography.F.

◆ putrino2000

integer, save, public bibliography::putrino2000

Definition at line 36 of file bibliography.F.

◆ putrino2002

integer, save, public bibliography::putrino2002

Definition at line 36 of file bibliography.F.

◆ sebastiani2001

integer, save, public bibliography::sebastiani2001

Definition at line 36 of file bibliography.F.

◆ weber2009

integer, save, public bibliography::weber2009

Definition at line 36 of file bibliography.F.

◆ tran2013

integer, save, public bibliography::tran2013

Definition at line 36 of file bibliography.F.

◆ golze2013

integer, save, public bibliography::golze2013

Definition at line 36 of file bibliography.F.

◆ golze2015

integer, save, public bibliography::golze2015

Definition at line 36 of file bibliography.F.

◆ golze2017a

integer, save, public bibliography::golze2017a

Definition at line 36 of file bibliography.F.

◆ golze2017b

integer, save, public bibliography::golze2017b

Definition at line 36 of file bibliography.F.

◆ tuckerman1992

integer, save, public bibliography::tuckerman1992

Definition at line 36 of file bibliography.F.

◆ zhao1994

integer, save, public bibliography::zhao1994

Definition at line 36 of file bibliography.F.

◆ tozer1996

integer, save, public bibliography::tozer1996

Definition at line 36 of file bibliography.F.

◆ goedecker2004

integer, save, public bibliography::goedecker2004

Definition at line 36 of file bibliography.F.

◆ rengaraj2020

integer, save, public bibliography::rengaraj2020

Definition at line 36 of file bibliography.F.

◆ khaliullin2013

integer, save, public bibliography::khaliullin2013

Definition at line 36 of file bibliography.F.

◆ kruse2012

integer, save, public bibliography::kruse2012

Definition at line 36 of file bibliography.F.

◆ hutter2014

integer, save, public bibliography::hutter2014

Definition at line 36 of file bibliography.F.

◆ bengtsson1999

integer, save, public bibliography::bengtsson1999

Definition at line 36 of file bibliography.F.

◆ kantorovich2008

integer, save, public bibliography::kantorovich2008

Definition at line 36 of file bibliography.F.

◆ kantorovich2008a

integer, save, public bibliography::kantorovich2008a

Definition at line 36 of file bibliography.F.

◆ wellendorff2012

integer, save, public bibliography::wellendorff2012

Definition at line 36 of file bibliography.F.

◆ niklasson2014

integer, save, public bibliography::niklasson2014

Definition at line 36 of file bibliography.F.

◆ borstnik2014

integer, save, public bibliography::borstnik2014

Definition at line 36 of file bibliography.F.

◆ rayson2009

integer, save, public bibliography::rayson2009

Definition at line 36 of file bibliography.F.

◆ grimme2011

integer, save, public bibliography::grimme2011

Definition at line 36 of file bibliography.F.

◆ grimme2015fod

integer, save, public bibliography::grimme2015fod

Definition at line 36 of file bibliography.F.

◆ fattebert2002

integer, save, public bibliography::fattebert2002

Definition at line 36 of file bibliography.F.

◆ andreussi2012

integer, save, public bibliography::andreussi2012

Definition at line 36 of file bibliography.F.

◆ khaliullin2007

integer, save, public bibliography::khaliullin2007

Definition at line 36 of file bibliography.F.

◆ khaliullin2008

integer, save, public bibliography::khaliullin2008

Definition at line 36 of file bibliography.F.

◆ merlot2014

integer, save, public bibliography::merlot2014

Definition at line 36 of file bibliography.F.

◆ lin2009

integer, save, public bibliography::lin2009

Definition at line 36 of file bibliography.F.

◆ lin2013

integer, save, public bibliography::lin2013

Definition at line 36 of file bibliography.F.

◆ lin2016ace

integer, save, public bibliography::lin2016ace

Definition at line 36 of file bibliography.F.

◆ batzner2022

integer, save, public bibliography::batzner2022

Definition at line 36 of file bibliography.F.

◆ batatia2022

integer, save, public bibliography::batatia2022

Definition at line 36 of file bibliography.F.

◆ delben2015

integer, save, public bibliography::delben2015

Definition at line 36 of file bibliography.F.

◆ souza2002

integer, save, public bibliography::souza2002

Definition at line 36 of file bibliography.F.

◆ umari2002

integer, save, public bibliography::umari2002

Definition at line 36 of file bibliography.F.

◆ stengel2009

integer, save, public bibliography::stengel2009

Definition at line 36 of file bibliography.F.

◆ luber2014

integer, save, public bibliography::luber2014

Definition at line 36 of file bibliography.F.

◆ berghold2011

integer, save, public bibliography::berghold2011

Definition at line 36 of file bibliography.F.

◆ delben2015b

integer, save, public bibliography::delben2015b

Definition at line 36 of file bibliography.F.

◆ campana2009

integer, save, public bibliography::campana2009

Definition at line 36 of file bibliography.F.

◆ schiffmann2015

integer, save, public bibliography::schiffmann2015

Definition at line 36 of file bibliography.F.

◆ bruck2014

integer, save, public bibliography::bruck2014

Definition at line 36 of file bibliography.F.

◆ rappe1992

integer, save, public bibliography::rappe1992

Definition at line 36 of file bibliography.F.

◆ ceriotti2012

integer, save, public bibliography::ceriotti2012

Definition at line 36 of file bibliography.F.

◆ ceriotti2010

integer, save, public bibliography::ceriotti2010

Definition at line 36 of file bibliography.F.

◆ walewski2014

integer, save, public bibliography::walewski2014

Definition at line 36 of file bibliography.F.

◆ monkhorst1976

integer, save, public bibliography::monkhorst1976

Definition at line 36 of file bibliography.F.

◆ macdonald1978

integer, save, public bibliography::macdonald1978

Definition at line 36 of file bibliography.F.

◆ worlton1972

integer, save, public bibliography::worlton1972

Definition at line 36 of file bibliography.F.

◆ gilbert2008

integer, save, public bibliography::gilbert2008

Definition at line 36 of file bibliography.F.

◆ schonherr2014

integer, save, public bibliography::schonherr2014

Definition at line 36 of file bibliography.F.

◆ ceriotti2014

integer, save, public bibliography::ceriotti2014

Definition at line 36 of file bibliography.F.

◆ banihashemian2016

integer, save, public bibliography::banihashemian2016

Definition at line 36 of file bibliography.F.

◆ kapil2016

integer, save, public bibliography::kapil2016

Definition at line 36 of file bibliography.F.

◆ heinzmann1976

integer, save, public bibliography::heinzmann1976

Definition at line 36 of file bibliography.F.

◆ ehrhardt1985

integer, save, public bibliography::ehrhardt1985

Definition at line 36 of file bibliography.F.

◆ rybkin2016

integer, save, public bibliography::rybkin2016

Definition at line 36 of file bibliography.F.

◆ west2006

integer, save, public bibliography::west2006

Definition at line 36 of file bibliography.F.

◆ bates2013

integer, save, public bibliography::bates2013

Definition at line 36 of file bibliography.F.

◆ andermatt2016

integer, save, public bibliography::andermatt2016

Definition at line 36 of file bibliography.F.

◆ zhu2016

integer, save, public bibliography::zhu2016

Definition at line 36 of file bibliography.F.

◆ schuett2016

integer, save, public bibliography::schuett2016

Definition at line 36 of file bibliography.F.

◆ lu2004

integer, save, public bibliography::lu2004

Definition at line 36 of file bibliography.F.

◆ becke1988b

integer, save, public bibliography::becke1988b

Definition at line 36 of file bibliography.F.

◆ migliore2009

integer, save, public bibliography::migliore2009

Definition at line 36 of file bibliography.F.

◆ mavros2015

integer, save, public bibliography::mavros2015

Definition at line 36 of file bibliography.F.

◆ holmberg2017

integer, save, public bibliography::holmberg2017

Definition at line 36 of file bibliography.F.

◆ marek2014

integer, save, public bibliography::marek2014

Definition at line 36 of file bibliography.F.

◆ stoychev2016

integer, save, public bibliography::stoychev2016

Definition at line 36 of file bibliography.F.

◆ futera2017

integer, save, public bibliography::futera2017

Definition at line 36 of file bibliography.F.

◆ bailey2006

integer, save, public bibliography::bailey2006

Definition at line 36 of file bibliography.F.

◆ papior2017

integer, save, public bibliography::papior2017

Definition at line 36 of file bibliography.F.

◆ lehtola2018

integer, save, public bibliography::lehtola2018

Definition at line 36 of file bibliography.F.

◆ brieuc2016

integer, save, public bibliography::brieuc2016

Definition at line 36 of file bibliography.F.

◆ barca2018

integer, save, public bibliography::barca2018

Definition at line 36 of file bibliography.F.

◆ scheiber2018

integer, save, public bibliography::scheiber2018

Definition at line 36 of file bibliography.F.

◆ huang2011

integer, save, public bibliography::huang2011

Definition at line 36 of file bibliography.F.

◆ heaton_burgess2007

integer, save, public bibliography::heaton_burgess2007

Definition at line 36 of file bibliography.F.

◆ schuett2018

integer, save, public bibliography::schuett2018

Definition at line 36 of file bibliography.F.

◆ holmberg2018

integer, save, public bibliography::holmberg2018

Definition at line 36 of file bibliography.F.

◆ togo2018

integer, save, public bibliography::togo2018

Definition at line 36 of file bibliography.F.

◆ staub2019

integer, save, public bibliography::staub2019

Definition at line 36 of file bibliography.F.

◆ grimme2013

integer, save, public bibliography::grimme2013

Definition at line 36 of file bibliography.F.

◆ grimme2016

integer, save, public bibliography::grimme2016

Definition at line 36 of file bibliography.F.

◆ grimme2017

integer, save, public bibliography::grimme2017

Definition at line 36 of file bibliography.F.

◆ asgeirsson2017

integer, save, public bibliography::asgeirsson2017

Definition at line 36 of file bibliography.F.

◆ bannwarth2019

integer, save, public bibliography::bannwarth2019

Definition at line 36 of file bibliography.F.

◆ katbashev2025

integer, save, public bibliography::katbashev2025

Definition at line 36 of file bibliography.F.

◆ kondov2007

integer, save, public bibliography::kondov2007

Definition at line 36 of file bibliography.F.

◆ clabaut2020

integer, save, public bibliography::clabaut2020

Definition at line 36 of file bibliography.F.

◆ clabaut2021

integer, save, public bibliography::clabaut2021

Definition at line 36 of file bibliography.F.

◆ ren2011

integer, save, public bibliography::ren2011

Definition at line 36 of file bibliography.F.

◆ ren2013

integer, save, public bibliography::ren2013

Definition at line 36 of file bibliography.F.

◆ cohen2000

integer, save, public bibliography::cohen2000

Definition at line 36 of file bibliography.F.

◆ rogers2002

integer, save, public bibliography::rogers2002

Definition at line 36 of file bibliography.F.

◆ filippetti2000

integer, save, public bibliography::filippetti2000

Definition at line 36 of file bibliography.F.

◆ limpanuparb2011

integer, save, public bibliography::limpanuparb2011

Definition at line 36 of file bibliography.F.

◆ martin2003

integer, save, public bibliography::martin2003

Definition at line 36 of file bibliography.F.

◆ yin2017

integer, save, public bibliography::yin2017

Definition at line 36 of file bibliography.F.

◆ goerigk2017

integer, save, public bibliography::goerigk2017

Definition at line 36 of file bibliography.F.

◆ wilhelm2016a

integer, save, public bibliography::wilhelm2016a

Definition at line 36 of file bibliography.F.

◆ wilhelm2016b

integer, save, public bibliography::wilhelm2016b

Definition at line 36 of file bibliography.F.

◆ wilhelm2017

integer, save, public bibliography::wilhelm2017

Definition at line 36 of file bibliography.F.

◆ wilhelm2018

integer, save, public bibliography::wilhelm2018

Definition at line 36 of file bibliography.F.

◆ wilhelm2021

integer, save, public bibliography::wilhelm2021

Definition at line 36 of file bibliography.F.

◆ lass2018

integer, save, public bibliography::lass2018

Definition at line 36 of file bibliography.F.

◆ cp2kqs2020

integer, save, public bibliography::cp2kqs2020

Definition at line 36 of file bibliography.F.

◆ iannuzzi2026

integer, save, public bibliography::iannuzzi2026

Definition at line 36 of file bibliography.F.

◆ behler2007

integer, save, public bibliography::behler2007

Definition at line 36 of file bibliography.F.

◆ behler2011

integer, save, public bibliography::behler2011

Definition at line 36 of file bibliography.F.

◆ schran2020a

integer, save, public bibliography::schran2020a

Definition at line 36 of file bibliography.F.

◆ schran2020b

integer, save, public bibliography::schran2020b

Definition at line 36 of file bibliography.F.

◆ rycroft2009

integer, save, public bibliography::rycroft2009

Definition at line 36 of file bibliography.F.

◆ thomas2015

integer, save, public bibliography::thomas2015

Definition at line 36 of file bibliography.F.

◆ brehm2018

integer, save, public bibliography::brehm2018

Definition at line 36 of file bibliography.F.

◆ brehm2020

integer, save, public bibliography::brehm2020

Definition at line 36 of file bibliography.F.

◆ shigeta2001

integer, save, public bibliography::shigeta2001

Definition at line 36 of file bibliography.F.

◆ heinecke2016

integer, save, public bibliography::heinecke2016

Definition at line 36 of file bibliography.F.

◆ brehm2021

integer, save, public bibliography::brehm2021

Definition at line 36 of file bibliography.F.

◆ bussy2021a

integer, save, public bibliography::bussy2021a

Definition at line 36 of file bibliography.F.

◆ bussy2021b

integer, save, public bibliography::bussy2021b

Definition at line 36 of file bibliography.F.

◆ ditler2021

integer, save, public bibliography::ditler2021

Definition at line 36 of file bibliography.F.

◆ ditler2022

integer, save, public bibliography::ditler2022

Definition at line 36 of file bibliography.F.

◆ mattiat2019

integer, save, public bibliography::mattiat2019

Definition at line 36 of file bibliography.F.

◆ mattiat2022

integer, save, public bibliography::mattiat2022

Definition at line 36 of file bibliography.F.

◆ belleflamme2023

integer, save, public bibliography::belleflamme2023

Definition at line 36 of file bibliography.F.

◆ knizia2013

integer, save, public bibliography::knizia2013

Definition at line 36 of file bibliography.F.

◆ musaelian2023

integer, save, public bibliography::musaelian2023

Definition at line 36 of file bibliography.F.

◆ eriksen2020

integer, save, public bibliography::eriksen2020

Definition at line 36 of file bibliography.F.

◆ bussy2023

integer, save, public bibliography::bussy2023

Definition at line 36 of file bibliography.F.

◆ bussy2024

integer, save, public bibliography::bussy2024

Definition at line 36 of file bibliography.F.

◆ wang2018

integer, save, public bibliography::wang2018

Definition at line 36 of file bibliography.F.

◆ zeng2023

integer, save, public bibliography::zeng2023

Definition at line 36 of file bibliography.F.

◆ graml2024

integer, save, public bibliography::graml2024

Definition at line 36 of file bibliography.F.

◆ solca2024

integer, save, public bibliography::solca2024

Definition at line 36 of file bibliography.F.

◆ caldeweyher2017

integer, save, public bibliography::caldeweyher2017

Definition at line 36 of file bibliography.F.

◆ caldeweyher2019

integer, save, public bibliography::caldeweyher2019

Definition at line 36 of file bibliography.F.

◆ caldeweyher2020

integer, save, public bibliography::caldeweyher2020

Definition at line 36 of file bibliography.F.

◆ wittmann2024

integer, save, public bibliography::wittmann2024

Definition at line 36 of file bibliography.F.

◆ freeman1977

integer, save, public bibliography::freeman1977

Definition at line 36 of file bibliography.F.

◆ gruneis2009

integer, save, public bibliography::gruneis2009

Definition at line 36 of file bibliography.F.

◆ blaha2010

integer, save, public bibliography::blaha2010

Definition at line 36 of file bibliography.F.

◆ kressefurthmueller1996

integer, save, public bibliography::kressefurthmueller1996

Definition at line 36 of file bibliography.F.

◆ stein2022

integer, save, public bibliography::stein2022

Definition at line 36 of file bibliography.F.

◆ stein2024

integer, save, public bibliography::stein2024

Definition at line 36 of file bibliography.F.

◆ pracht2019

integer, save, public bibliography::pracht2019

Definition at line 36 of file bibliography.F.

◆ blase2018

integer, save, public bibliography::blase2018

Definition at line 36 of file bibliography.F.

◆ blase2020

integer, save, public bibliography::blase2020

Definition at line 36 of file bibliography.F.

◆ bruneval2015

integer, save, public bibliography::bruneval2015

Definition at line 36 of file bibliography.F.

◆ golze2019

integer, save, public bibliography::golze2019

Definition at line 36 of file bibliography.F.

◆ gui2018

integer, save, public bibliography::gui2018

Definition at line 36 of file bibliography.F.

◆ jacquemin2017

integer, save, public bibliography::jacquemin2017

Definition at line 36 of file bibliography.F.

◆ liu2020

integer, save, public bibliography::liu2020

Definition at line 36 of file bibliography.F.

◆ sander2015

integer, save, public bibliography::sander2015

Definition at line 36 of file bibliography.F.

◆ schreiber2008

integer, save, public bibliography::schreiber2008

Definition at line 36 of file bibliography.F.

◆ vansetten2015

integer, save, public bibliography::vansetten2015

Definition at line 36 of file bibliography.F.

◆ setyawan2010

integer, save, public bibliography::setyawan2010

Definition at line 36 of file bibliography.F.

◆ ahart2024

integer, save, public bibliography::ahart2024

Definition at line 36 of file bibliography.F.

◆ knysh2024

integer, save, public bibliography::knysh2024

Definition at line 36 of file bibliography.F.

◆ schambeck2024

integer, save, public bibliography::schambeck2024

Definition at line 36 of file bibliography.F.

◆ mewes2018

integer, save, public bibliography::mewes2018

Definition at line 36 of file bibliography.F.

◆ sertcan2024

integer, save, public bibliography::sertcan2024

Definition at line 36 of file bibliography.F.

◆ drautz2019

integer, save, public bibliography::drautz2019

Definition at line 36 of file bibliography.F.

◆ lysogorskiy2021

integer, save, public bibliography::lysogorskiy2021

Definition at line 36 of file bibliography.F.

◆ bochkarev2024

integer, save, public bibliography::bochkarev2024

Definition at line 36 of file bibliography.F.

◆ vazdacruz2021

integer, save, public bibliography::vazdacruz2021

Definition at line 36 of file bibliography.F.

◆ chen2025

integer, save, public bibliography::chen2025

Definition at line 36 of file bibliography.F.

◆ hernandez2025

integer, save, public bibliography::hernandez2025

Definition at line 36 of file bibliography.F.

◆ marek2025

integer, save, public bibliography::marek2025

Definition at line 36 of file bibliography.F.

◆ hehn2022

integer, save, public bibliography::hehn2022

Definition at line 36 of file bibliography.F.

◆ hehn2024

integer, save, public bibliography::hehn2024

Definition at line 36 of file bibliography.F.

◆ pasquier2025

integer, save, public bibliography::pasquier2025

Definition at line 36 of file bibliography.F.

◆ hedin1965

integer, save, public bibliography::hedin1965

Definition at line 36 of file bibliography.F.

◆ hybertsen1986

integer, save, public bibliography::hybertsen1986

Definition at line 36 of file bibliography.F.

◆ tyagi2024

integer, save, public bibliography::tyagi2024

Definition at line 36 of file bibliography.F.

◆ tyagi2026

integer, save, public bibliography::tyagi2026

Definition at line 36 of file bibliography.F.

◆ hanasaki2025

integer, save, public bibliography::hanasaki2025

Definition at line 36 of file bibliography.F.

◆ graml2026

integer, save, public bibliography::graml2026

Definition at line 36 of file bibliography.F.

◆ tan2025

integer, save, public bibliography::tan2025

Definition at line 36 of file bibliography.F.

◆ broyden1965

integer, save, public bibliography::broyden1965

Definition at line 36 of file bibliography.F.

◆ johnson1988

integer, save, public bibliography::johnson1988

Definition at line 36 of file bibliography.F.

◆ kerker1981

integer, save, public bibliography::kerker1981

Definition at line 36 of file bibliography.F.

◆ fuho1983

integer, save, public bibliography::fuho1983

Definition at line 36 of file bibliography.F.

◆ methfesselpaxton1989

integer, save, public bibliography::methfesselpaxton1989

Definition at line 36 of file bibliography.F.

◆ marzari1999

integer, save, public bibliography::marzari1999

Definition at line 36 of file bibliography.F.

◆ dossantos2023

integer, save, public bibliography::dossantos2023

Definition at line 36 of file bibliography.F.

◆ mermin1965

integer, save, public bibliography::mermin1965

Definition at line 36 of file bibliography.F.

◆ kuhneheskeprodan2020

integer, save, public bibliography::kuhneheskeprodan2020

Definition at line 36 of file bibliography.F.

◆ schreder2021

integer, save, public bibliography::schreder2021

Definition at line 36 of file bibliography.F.

◆ schreder2024_1

integer, save, public bibliography::schreder2024_1

Definition at line 36 of file bibliography.F.

◆ schreder2024_2

integer, save, public bibliography::schreder2024_2

Definition at line 36 of file bibliography.F.

◆ shiga2022

integer, save, public bibliography::shiga2022

Definition at line 36 of file bibliography.F.

◆ lindh1995

integer, save, public bibliography::lindh1995

Definition at line 36 of file bibliography.F.

◆ chai2024a

integer, save, public bibliography::chai2024a

Definition at line 36 of file bibliography.F.

◆ rullan2026

integer, save, public bibliography::rullan2026

Definition at line 36 of file bibliography.F.

◆ sundararaman2017

integer, save, public bibliography::sundararaman2017

Definition at line 36 of file bibliography.F.

◆ andreussi2019

integer, save, public bibliography::andreussi2019

Definition at line 36 of file bibliography.F.

◆ chai2025a

integer, save, public bibliography::chai2025a

Definition at line 36 of file bibliography.F.

◆ neugebauer2023

integer, save, public bibliography::neugebauer2023

Definition at line 36 of file bibliography.F.

◆ chai2024b

integer, save, public bibliography::chai2024b

Definition at line 36 of file bibliography.F.

◆ moynihan2017

integer, save, public bibliography::moynihan2017

Definition at line 36 of file bibliography.F.

◆ cococcioni2005

integer, save, public bibliography::cococcioni2005

Definition at line 36 of file bibliography.F.

◆ cances2000

integer, save, public bibliography::cances2000

Definition at line 36 of file bibliography.F.

◆ herbst2022

integer, save, public bibliography::herbst2022

Definition at line 36 of file bibliography.F.

◆ zhang2025

integer, save, public bibliography::zhang2025

Definition at line 36 of file bibliography.F.

◆ gresch2017

integer, save, public bibliography::gresch2017

Definition at line 36 of file bibliography.F.

◆ soluyanov2011

integer, save, public bibliography::soluyanov2011

Definition at line 36 of file bibliography.F.

◆ dixon2023

integer, save, public bibliography::dixon2023

Definition at line 36 of file bibliography.F.

◆ doll2025

integer, save, public bibliography::doll2025

Definition at line 36 of file bibliography.F.

◆ wong2026

integer, save, public bibliography::wong2026

Definition at line 36 of file bibliography.F.

◆ loring2015

integer, save, public bibliography::loring2015

Definition at line 36 of file bibliography.F.

◆ esteveparedes2023

integer, save, public bibliography::esteveparedes2023

Definition at line 36 of file bibliography.F.

◆ cerjan2023

integer, save, public bibliography::cerjan2023

Definition at line 36 of file bibliography.F.

◆ bairnsfather2026

integer, save, public bibliography::bairnsfather2026

Definition at line 36 of file bibliography.F.

◆ davidson1975

integer, save, public bibliography::davidson1975

Definition at line 36 of file bibliography.F.

◆ olsen1988

integer, save, public bibliography::olsen1988

Definition at line 36 of file bibliography.F.

◆ stratmann1998

integer, save, public bibliography::stratmann1998

Definition at line 36 of file bibliography.F.

◆ vecharynski2017

integer, save, public bibliography::vecharynski2017

Definition at line 36 of file bibliography.F.

◆ stathopoulos1998

integer, save, public bibliography::stathopoulos1998

Definition at line 36 of file bibliography.F.

◆ bai2012

integer, save, public bibliography::bai2012

Definition at line 36 of file bibliography.F.

◆ fukaya2014

integer, save, public bibliography::fukaya2014

Definition at line 36 of file bibliography.F.

◆ schreder2024_3

integer, save, public bibliography::schreder2024_3

Definition at line 36 of file bibliography.F.

◆ pizzi2020

integer, save, public bibliography::pizzi2020

Definition at line 36 of file bibliography.F.

◆ marzari1997

integer, save, public bibliography::marzari1997

Definition at line 36 of file bibliography.F.

◆ souza2001

integer, save, public bibliography::souza2001

Definition at line 36 of file bibliography.F.

Functions/Subroutines

Variables

Detailed Description

Function/Subroutine Documentation

◆ add_all_references()

Variable Documentation

◆ richters2018

◆ vandevondele2005a

◆ vandevondele2003

◆ laino2005

◆ laino2006

◆ goedecker1996

◆ hartwigsen1998

◆ krack2005

◆ lippert1997

◆ lippert1999

◆ krack2000

◆ krack2002

◆ iannuzzi2005

◆ iannuzzi2006

◆ iannuzzi2007

◆ toukmaji1996

◆ martyna1999

◆ vandevondele2005b

◆ perdew1981

◆ avezac2005

◆ porezag1995

◆ seifert1996

◆ elstner1998

◆ zhechkov2005

◆ henkelman1999

◆ henkelman2014

◆ frigo2005

◆ nose1984a

◆ nose1984b

◆ brelaz1979

◆ bussi2007

◆ genovese2006

◆ genovese2007

◆ evans1983

◆ minary2003

◆ byrd1995

◆ vandevondele2007

◆ ortiz1994

◆ becke1988

◆ perdew1996

◆ zhang1998

◆ perdew2008

◆ lee1988

◆ heyd2006

◆ vydrov2006

◆ heyd2003

◆ heyd2004

◆ vosko1980

◆ aguado2003

◆ essmann1995

◆ ewald1921

◆ darden1993

◆ bazant1996

◆ bazant1997

◆ goedecker2002

◆ lenosky2000

◆ siepmann1995

◆ stillinger1985

◆ tersoff1988

◆ tosi1964a

◆ tosi1964b

◆ yamada2000

◆ dudarev1997

◆ dudarev1998

◆ dewar1977

◆ dewar1985

◆ rocha2006

◆ stewart1989

◆ thiel1992

◆ repasky2002

◆ stewart2007

◆ weber2008

◆ hunt2003

◆ guidon2008