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 More...

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	siepmann1995

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	grimme2006

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	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	quip_ref

integer, save, public	batzner2022

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	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	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	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	wang2018

integer, save, public	zeng2023

integer, save, public	graml2024

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.

reference_manager.F provides 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

Note: references need to be input using the ISI citation format, because it is uniform, easy to parse, and can be exported for example from web of science. (mark the reference, and click 'export to reference software', open the resulting file) Furthermore, it can be easily converted to and from using the bibutils tools a collection of easy to use conversion programs that can be found at https://ctan.org/pkg/bibutils by Chris Putnam

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

note that the ISI record is fixed format (line length limited and the first 3 characters can indicate record type)
please add DOI whenever available, this will result in a clickable link in the input reference manual.

Definition at line 108 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 43 of file bibliography.F.

◆ vandevondele2005a

integer, save, public bibliography::vandevondele2005a

Definition at line 43 of file bibliography.F.

◆ vandevondele2003

integer, save, public bibliography::vandevondele2003

Definition at line 43 of file bibliography.F.

◆ laino2005

integer, save, public bibliography::laino2005

Definition at line 43 of file bibliography.F.

◆ laino2006

integer, save, public bibliography::laino2006

Definition at line 43 of file bibliography.F.

◆ goedecker1996

integer, save, public bibliography::goedecker1996

Definition at line 43 of file bibliography.F.

◆ hartwigsen1998

integer, save, public bibliography::hartwigsen1998

Definition at line 43 of file bibliography.F.

◆ krack2005

integer, save, public bibliography::krack2005

Definition at line 43 of file bibliography.F.

◆ lippert1997

integer, save, public bibliography::lippert1997

Definition at line 43 of file bibliography.F.

◆ lippert1999

integer, save, public bibliography::lippert1999

Definition at line 43 of file bibliography.F.

◆ krack2000

integer, save, public bibliography::krack2000

Definition at line 43 of file bibliography.F.

◆ krack2002

integer, save, public bibliography::krack2002

Definition at line 43 of file bibliography.F.

◆ iannuzzi2005

integer, save, public bibliography::iannuzzi2005

Definition at line 43 of file bibliography.F.

◆ iannuzzi2006

integer, save, public bibliography::iannuzzi2006

Definition at line 43 of file bibliography.F.

◆ iannuzzi2007

integer, save, public bibliography::iannuzzi2007

Definition at line 43 of file bibliography.F.

◆ toukmaji1996

integer, save, public bibliography::toukmaji1996

Definition at line 43 of file bibliography.F.

◆ martyna1999

integer, save, public bibliography::martyna1999

Definition at line 43 of file bibliography.F.

◆ vandevondele2005b

integer, save, public bibliography::vandevondele2005b

Definition at line 43 of file bibliography.F.

◆ perdew1981

integer, save, public bibliography::perdew1981

Definition at line 43 of file bibliography.F.

◆ avezac2005

integer, save, public bibliography::avezac2005

Definition at line 43 of file bibliography.F.

◆ porezag1995

integer, save, public bibliography::porezag1995

Definition at line 43 of file bibliography.F.

◆ seifert1996

integer, save, public bibliography::seifert1996

Definition at line 43 of file bibliography.F.

◆ elstner1998

integer, save, public bibliography::elstner1998

Definition at line 43 of file bibliography.F.

◆ zhechkov2005

integer, save, public bibliography::zhechkov2005

Definition at line 43 of file bibliography.F.

◆ henkelman1999

integer, save, public bibliography::henkelman1999

Definition at line 43 of file bibliography.F.

◆ henkelman2014

integer, save, public bibliography::henkelman2014

Definition at line 43 of file bibliography.F.

◆ frigo2005

integer, save, public bibliography::frigo2005

Definition at line 43 of file bibliography.F.

◆ nose1984a

integer, save, public bibliography::nose1984a

Definition at line 43 of file bibliography.F.

◆ nose1984b

integer, save, public bibliography::nose1984b

Definition at line 43 of file bibliography.F.

◆ brelaz1979

integer, save, public bibliography::brelaz1979

Definition at line 43 of file bibliography.F.

◆ bussi2007

integer, save, public bibliography::bussi2007

Definition at line 43 of file bibliography.F.

◆ genovese2006

integer, save, public bibliography::genovese2006

Definition at line 43 of file bibliography.F.

◆ genovese2007

integer, save, public bibliography::genovese2007

Definition at line 43 of file bibliography.F.

◆ evans1983

integer, save, public bibliography::evans1983

Definition at line 43 of file bibliography.F.

◆ minary2003

integer, save, public bibliography::minary2003

Definition at line 43 of file bibliography.F.

◆ byrd1995

integer, save, public bibliography::byrd1995

Definition at line 43 of file bibliography.F.

◆ vandevondele2007

integer, save, public bibliography::vandevondele2007

Definition at line 43 of file bibliography.F.

◆ ortiz1994

integer, save, public bibliography::ortiz1994

Definition at line 43 of file bibliography.F.

◆ becke1988

integer, save, public bibliography::becke1988

Definition at line 43 of file bibliography.F.

◆ perdew1996

integer, save, public bibliography::perdew1996

Definition at line 43 of file bibliography.F.

◆ zhang1998

integer, save, public bibliography::zhang1998

Definition at line 43 of file bibliography.F.

◆ perdew2008

integer, save, public bibliography::perdew2008

Definition at line 43 of file bibliography.F.

◆ lee1988

integer, save, public bibliography::lee1988

Definition at line 43 of file bibliography.F.

◆ heyd2006

integer, save, public bibliography::heyd2006

Definition at line 43 of file bibliography.F.

◆ vydrov2006

integer, save, public bibliography::vydrov2006

Definition at line 43 of file bibliography.F.

◆ heyd2003

integer, save, public bibliography::heyd2003

Definition at line 43 of file bibliography.F.

◆ heyd2004

integer, save, public bibliography::heyd2004

Definition at line 43 of file bibliography.F.

◆ vosko1980

integer, save, public bibliography::vosko1980

Definition at line 43 of file bibliography.F.

◆ aguado2003

integer, save, public bibliography::aguado2003

Definition at line 43 of file bibliography.F.

◆ essmann1995

integer, save, public bibliography::essmann1995

Definition at line 43 of file bibliography.F.

◆ ewald1921

integer, save, public bibliography::ewald1921

Definition at line 43 of file bibliography.F.

◆ darden1993

integer, save, public bibliography::darden1993

Definition at line 43 of file bibliography.F.

◆ siepmann1995

integer, save, public bibliography::siepmann1995

Definition at line 43 of file bibliography.F.

◆ tersoff1988

integer, save, public bibliography::tersoff1988

Definition at line 43 of file bibliography.F.

◆ tosi1964a

integer, save, public bibliography::tosi1964a

Definition at line 43 of file bibliography.F.

◆ tosi1964b

integer, save, public bibliography::tosi1964b

Definition at line 43 of file bibliography.F.

◆ yamada2000

integer, save, public bibliography::yamada2000

Definition at line 43 of file bibliography.F.

◆ dudarev1997

integer, save, public bibliography::dudarev1997

Definition at line 43 of file bibliography.F.

◆ dudarev1998

integer, save, public bibliography::dudarev1998

Definition at line 43 of file bibliography.F.

◆ dewar1977

integer, save, public bibliography::dewar1977

Definition at line 43 of file bibliography.F.

◆ dewar1985

integer, save, public bibliography::dewar1985

Definition at line 43 of file bibliography.F.

◆ rocha2006

integer, save, public bibliography::rocha2006

Definition at line 43 of file bibliography.F.

◆ stewart1989

integer, save, public bibliography::stewart1989

Definition at line 43 of file bibliography.F.

◆ thiel1992

integer, save, public bibliography::thiel1992

Definition at line 43 of file bibliography.F.

◆ repasky2002

integer, save, public bibliography::repasky2002

Definition at line 43 of file bibliography.F.

◆ stewart2007

integer, save, public bibliography::stewart2007

Definition at line 43 of file bibliography.F.

◆ weber2008

integer, save, public bibliography::weber2008

Definition at line 43 of file bibliography.F.

◆ hunt2003

integer, save, public bibliography::hunt2003

Definition at line 43 of file bibliography.F.

◆ guidon2008

integer, save, public bibliography::guidon2008

Definition at line 43 of file bibliography.F.

◆ elber1987

integer, save, public bibliography::elber1987

Definition at line 43 of file bibliography.F.

◆ jonsson1998

integer, save, public bibliography::jonsson1998

Definition at line 43 of file bibliography.F.

◆ jonsson2000_1

integer, save, public bibliography::jonsson2000_1

Definition at line 43 of file bibliography.F.

◆ jonsson2000_2

integer, save, public bibliography::jonsson2000_2

Definition at line 43 of file bibliography.F.

◆ wales2004

integer, save, public bibliography::wales2004

Definition at line 43 of file bibliography.F.

◆ stewart1982

integer, save, public bibliography::stewart1982

Definition at line 43 of file bibliography.F.

◆ e2002

integer, save, public bibliography::e2002

Definition at line 43 of file bibliography.F.

◆ laino2008

integer, save, public bibliography::laino2008

Definition at line 43 of file bibliography.F.

◆ blochl1995

integer, save, public bibliography::blochl1995

Definition at line 43 of file bibliography.F.

◆ tao2003

integer, save, public bibliography::tao2003

Definition at line 43 of file bibliography.F.

◆ vandevondele2006

integer, save, public bibliography::vandevondele2006

Definition at line 43 of file bibliography.F.

◆ vanvoorhis2015

integer, save, public bibliography::vanvoorhis2015

Definition at line 43 of file bibliography.F.

◆ hu2007

integer, save, public bibliography::hu2007

Definition at line 43 of file bibliography.F.

◆ grimme2006

integer, save, public bibliography::grimme2006

Definition at line 43 of file bibliography.F.

◆ branduardi2007

integer, save, public bibliography::branduardi2007

Definition at line 43 of file bibliography.F.

◆ schenter2008

integer, save, public bibliography::schenter2008

Definition at line 43 of file bibliography.F.

◆ beckeroussel1989

integer, save, public bibliography::beckeroussel1989

Definition at line 43 of file bibliography.F.

◆ proynov2007

integer, save, public bibliography::proynov2007

Definition at line 43 of file bibliography.F.

◆ vandencic2006

integer, save, public bibliography::vandencic2006

Definition at line 43 of file bibliography.F.

◆ becke1997

integer, save, public bibliography::becke1997

Definition at line 43 of file bibliography.F.

◆ foiles1986

integer, save, public bibliography::foiles1986

Definition at line 43 of file bibliography.F.

◆ ricci2003

integer, save, public bibliography::ricci2003

Definition at line 43 of file bibliography.F.

◆ kolafa2004

integer, save, public bibliography::kolafa2004

Definition at line 43 of file bibliography.F.

◆ kuhne2007

integer, save, public bibliography::kuhne2007

Definition at line 43 of file bibliography.F.

◆ kunert2003

integer, save, public bibliography::kunert2003

Definition at line 43 of file bibliography.F.

◆ ceriotti2009

integer, save, public bibliography::ceriotti2009

Definition at line 43 of file bibliography.F.

◆ ceriotti2009b

integer, save, public bibliography::ceriotti2009b

Definition at line 43 of file bibliography.F.

◆ guidon2009

integer, save, public bibliography::guidon2009

Definition at line 43 of file bibliography.F.

◆ barducbus2008

integer, save, public bibliography::barducbus2008

Definition at line 43 of file bibliography.F.

◆ grimme2010

integer, save, public bibliography::grimme2010

Definition at line 43 of file bibliography.F.

◆ guidon2010

integer, save, public bibliography::guidon2010

Definition at line 43 of file bibliography.F.

◆ marques2012

integer, save, public bibliography::marques2012

Definition at line 43 of file bibliography.F.

◆ jones2011

integer, save, public bibliography::jones2011

Definition at line 43 of file bibliography.F.

◆ bernstein2009

integer, save, public bibliography::bernstein2009

Definition at line 43 of file bibliography.F.

◆ bernstein2012

integer, save, public bibliography::bernstein2012

Definition at line 43 of file bibliography.F.

◆ dick1958

integer, save, public bibliography::dick1958

Definition at line 43 of file bibliography.F.

◆ mitchell1993

integer, save, public bibliography::mitchell1993

Definition at line 43 of file bibliography.F.

◆ devynck2012

integer, save, public bibliography::devynck2012

Definition at line 43 of file bibliography.F.

◆ vandevondele2012

integer, save, public bibliography::vandevondele2012

Definition at line 43 of file bibliography.F.

◆ niklasson2003

integer, save, public bibliography::niklasson2003

Definition at line 43 of file bibliography.F.

◆ shao2003

integer, save, public bibliography::shao2003

Definition at line 43 of file bibliography.F.

◆ vandevondele2002

integer, save, public bibliography::vandevondele2002

Definition at line 43 of file bibliography.F.

◆ dion2004

integer, save, public bibliography::dion2004

Definition at line 43 of file bibliography.F.

◆ romanperez2009

integer, save, public bibliography::romanperez2009

Definition at line 43 of file bibliography.F.

◆ delben2012

integer, save, public bibliography::delben2012

Definition at line 43 of file bibliography.F.

◆ sabatini2013

integer, save, public bibliography::sabatini2013

Definition at line 43 of file bibliography.F.

◆ delben2013

integer, save, public bibliography::delben2013

Definition at line 43 of file bibliography.F.

◆ kikuchi2009

integer, save, public bibliography::kikuchi2009

Definition at line 43 of file bibliography.F.

◆ putrino2000

integer, save, public bibliography::putrino2000

Definition at line 43 of file bibliography.F.

◆ putrino2002

integer, save, public bibliography::putrino2002

Definition at line 43 of file bibliography.F.

◆ sebastiani2001

integer, save, public bibliography::sebastiani2001

Definition at line 43 of file bibliography.F.

◆ weber2009

integer, save, public bibliography::weber2009

Definition at line 43 of file bibliography.F.

◆ tran2013

integer, save, public bibliography::tran2013

Definition at line 43 of file bibliography.F.

◆ golze2013

integer, save, public bibliography::golze2013

Definition at line 43 of file bibliography.F.

◆ golze2015

integer, save, public bibliography::golze2015

Definition at line 43 of file bibliography.F.

◆ golze2017a

integer, save, public bibliography::golze2017a

Definition at line 43 of file bibliography.F.

◆ golze2017b

integer, save, public bibliography::golze2017b

Definition at line 43 of file bibliography.F.

◆ tuckerman1992

integer, save, public bibliography::tuckerman1992

Definition at line 43 of file bibliography.F.

◆ zhao1994

integer, save, public bibliography::zhao1994

Definition at line 43 of file bibliography.F.

◆ tozer1996

integer, save, public bibliography::tozer1996

Definition at line 43 of file bibliography.F.

◆ goedecker2004

integer, save, public bibliography::goedecker2004

Definition at line 43 of file bibliography.F.

◆ rengaraj2020

integer, save, public bibliography::rengaraj2020

Definition at line 43 of file bibliography.F.

◆ khaliullin2013

integer, save, public bibliography::khaliullin2013

Definition at line 43 of file bibliography.F.

◆ kruse2012

integer, save, public bibliography::kruse2012

Definition at line 43 of file bibliography.F.

◆ hutter2014

integer, save, public bibliography::hutter2014

Definition at line 43 of file bibliography.F.

◆ bengtsson1999

integer, save, public bibliography::bengtsson1999

Definition at line 43 of file bibliography.F.

◆ kantorovich2008

integer, save, public bibliography::kantorovich2008

Definition at line 43 of file bibliography.F.

◆ kantorovich2008a

integer, save, public bibliography::kantorovich2008a

Definition at line 43 of file bibliography.F.

◆ wellendorff2012

integer, save, public bibliography::wellendorff2012

Definition at line 43 of file bibliography.F.

◆ niklasson2014

integer, save, public bibliography::niklasson2014

Definition at line 43 of file bibliography.F.

◆ borstnik2014

integer, save, public bibliography::borstnik2014

Definition at line 43 of file bibliography.F.

◆ rayson2009

integer, save, public bibliography::rayson2009

Definition at line 43 of file bibliography.F.

◆ grimme2011

integer, save, public bibliography::grimme2011

Definition at line 43 of file bibliography.F.

◆ fattebert2002

integer, save, public bibliography::fattebert2002

Definition at line 43 of file bibliography.F.

◆ andreussi2012

integer, save, public bibliography::andreussi2012

Definition at line 43 of file bibliography.F.

◆ khaliullin2007

integer, save, public bibliography::khaliullin2007

Definition at line 43 of file bibliography.F.

◆ khaliullin2008

integer, save, public bibliography::khaliullin2008

Definition at line 43 of file bibliography.F.

◆ merlot2014

integer, save, public bibliography::merlot2014

Definition at line 43 of file bibliography.F.

◆ lin2009

integer, save, public bibliography::lin2009

Definition at line 43 of file bibliography.F.

◆ lin2013

integer, save, public bibliography::lin2013

Definition at line 43 of file bibliography.F.

◆ quip_ref

integer, save, public bibliography::quip_ref

Definition at line 43 of file bibliography.F.

◆ batzner2022

integer, save, public bibliography::batzner2022

Definition at line 43 of file bibliography.F.

◆ delben2015

integer, save, public bibliography::delben2015

Definition at line 43 of file bibliography.F.

◆ souza2002

integer, save, public bibliography::souza2002

Definition at line 43 of file bibliography.F.

◆ umari2002

integer, save, public bibliography::umari2002

Definition at line 43 of file bibliography.F.

◆ stengel2009

integer, save, public bibliography::stengel2009

Definition at line 43 of file bibliography.F.

◆ luber2014

integer, save, public bibliography::luber2014

Definition at line 43 of file bibliography.F.

◆ berghold2011

integer, save, public bibliography::berghold2011

Definition at line 43 of file bibliography.F.

◆ delben2015b

integer, save, public bibliography::delben2015b

Definition at line 43 of file bibliography.F.

◆ campana2009

integer, save, public bibliography::campana2009

Definition at line 43 of file bibliography.F.

◆ schiffmann2015

integer, save, public bibliography::schiffmann2015

Definition at line 43 of file bibliography.F.

◆ bruck2014

integer, save, public bibliography::bruck2014

Definition at line 43 of file bibliography.F.

◆ rappe1992

integer, save, public bibliography::rappe1992

Definition at line 43 of file bibliography.F.

◆ ceriotti2012

integer, save, public bibliography::ceriotti2012

Definition at line 43 of file bibliography.F.

◆ ceriotti2010

integer, save, public bibliography::ceriotti2010

Definition at line 43 of file bibliography.F.

◆ walewski2014

integer, save, public bibliography::walewski2014

Definition at line 43 of file bibliography.F.

◆ monkhorst1976

integer, save, public bibliography::monkhorst1976

Definition at line 43 of file bibliography.F.

◆ macdonald1978

integer, save, public bibliography::macdonald1978

Definition at line 43 of file bibliography.F.

◆ gilbert2008

integer, save, public bibliography::gilbert2008

Definition at line 43 of file bibliography.F.

◆ schonherr2014

integer, save, public bibliography::schonherr2014

Definition at line 43 of file bibliography.F.

◆ ceriotti2014

integer, save, public bibliography::ceriotti2014

Definition at line 43 of file bibliography.F.

◆ banihashemian2016

integer, save, public bibliography::banihashemian2016

Definition at line 43 of file bibliography.F.

◆ kapil2016

integer, save, public bibliography::kapil2016

Definition at line 43 of file bibliography.F.

◆ heinzmann1976

integer, save, public bibliography::heinzmann1976

Definition at line 43 of file bibliography.F.

◆ ehrhardt1985

integer, save, public bibliography::ehrhardt1985

Definition at line 43 of file bibliography.F.

◆ rybkin2016

integer, save, public bibliography::rybkin2016

Definition at line 43 of file bibliography.F.

◆ west2006

integer, save, public bibliography::west2006

Definition at line 43 of file bibliography.F.

◆ bates2013

integer, save, public bibliography::bates2013

Definition at line 43 of file bibliography.F.

◆ andermatt2016

integer, save, public bibliography::andermatt2016

Definition at line 43 of file bibliography.F.

◆ zhu2016

integer, save, public bibliography::zhu2016

Definition at line 43 of file bibliography.F.

◆ schuett2016

integer, save, public bibliography::schuett2016

Definition at line 43 of file bibliography.F.

◆ lu2004

integer, save, public bibliography::lu2004

Definition at line 43 of file bibliography.F.

◆ becke1988b

integer, save, public bibliography::becke1988b

Definition at line 43 of file bibliography.F.

◆ migliore2009

integer, save, public bibliography::migliore2009

Definition at line 43 of file bibliography.F.

◆ mavros2015

integer, save, public bibliography::mavros2015

Definition at line 43 of file bibliography.F.

◆ holmberg2017

integer, save, public bibliography::holmberg2017

Definition at line 43 of file bibliography.F.

◆ marek2014

integer, save, public bibliography::marek2014

Definition at line 43 of file bibliography.F.

◆ stoychev2016

integer, save, public bibliography::stoychev2016

Definition at line 43 of file bibliography.F.

◆ futera2017

integer, save, public bibliography::futera2017

Definition at line 43 of file bibliography.F.

◆ bailey2006

integer, save, public bibliography::bailey2006

Definition at line 43 of file bibliography.F.

◆ papior2017

integer, save, public bibliography::papior2017

Definition at line 43 of file bibliography.F.

◆ lehtola2018

integer, save, public bibliography::lehtola2018

Definition at line 43 of file bibliography.F.

◆ brieuc2016

integer, save, public bibliography::brieuc2016

Definition at line 43 of file bibliography.F.

◆ barca2018

integer, save, public bibliography::barca2018

Definition at line 43 of file bibliography.F.

◆ scheiber2018

integer, save, public bibliography::scheiber2018

Definition at line 43 of file bibliography.F.

◆ huang2011

integer, save, public bibliography::huang2011

Definition at line 43 of file bibliography.F.

◆ heaton_burgess2007

integer, save, public bibliography::heaton_burgess2007

Definition at line 43 of file bibliography.F.

◆ schuett2018

integer, save, public bibliography::schuett2018

Definition at line 43 of file bibliography.F.

◆ holmberg2018

integer, save, public bibliography::holmberg2018

Definition at line 43 of file bibliography.F.

◆ togo2018

integer, save, public bibliography::togo2018

Definition at line 43 of file bibliography.F.

◆ staub2019

integer, save, public bibliography::staub2019

Definition at line 43 of file bibliography.F.

◆ grimme2013

integer, save, public bibliography::grimme2013

Definition at line 43 of file bibliography.F.

◆ grimme2016

integer, save, public bibliography::grimme2016

Definition at line 43 of file bibliography.F.

◆ grimme2017

integer, save, public bibliography::grimme2017

Definition at line 43 of file bibliography.F.

◆ kondov2007

integer, save, public bibliography::kondov2007

Definition at line 43 of file bibliography.F.

◆ clabaut2020

integer, save, public bibliography::clabaut2020

Definition at line 43 of file bibliography.F.

◆ clabaut2021

integer, save, public bibliography::clabaut2021

Definition at line 43 of file bibliography.F.

◆ ren2011

integer, save, public bibliography::ren2011

Definition at line 43 of file bibliography.F.

◆ ren2013

integer, save, public bibliography::ren2013

Definition at line 43 of file bibliography.F.

◆ cohen2000

integer, save, public bibliography::cohen2000

Definition at line 43 of file bibliography.F.

◆ rogers2002

integer, save, public bibliography::rogers2002

Definition at line 43 of file bibliography.F.

◆ filippetti2000

integer, save, public bibliography::filippetti2000

Definition at line 43 of file bibliography.F.

◆ limpanuparb2011

integer, save, public bibliography::limpanuparb2011

Definition at line 43 of file bibliography.F.

◆ martin2003

integer, save, public bibliography::martin2003

Definition at line 43 of file bibliography.F.

◆ yin2017

integer, save, public bibliography::yin2017

Definition at line 43 of file bibliography.F.

◆ goerigk2017

integer, save, public bibliography::goerigk2017

Definition at line 43 of file bibliography.F.

◆ wilhelm2016a

integer, save, public bibliography::wilhelm2016a

Definition at line 43 of file bibliography.F.

◆ wilhelm2016b

integer, save, public bibliography::wilhelm2016b

Definition at line 43 of file bibliography.F.

◆ wilhelm2017

integer, save, public bibliography::wilhelm2017

Definition at line 43 of file bibliography.F.

◆ wilhelm2018

integer, save, public bibliography::wilhelm2018

Definition at line 43 of file bibliography.F.

◆ wilhelm2021

integer, save, public bibliography::wilhelm2021

Definition at line 43 of file bibliography.F.

◆ lass2018

integer, save, public bibliography::lass2018

Definition at line 43 of file bibliography.F.

◆ cp2kqs2020

integer, save, public bibliography::cp2kqs2020

Definition at line 43 of file bibliography.F.

◆ behler2007

integer, save, public bibliography::behler2007

Definition at line 43 of file bibliography.F.

◆ behler2011

integer, save, public bibliography::behler2011

Definition at line 43 of file bibliography.F.

◆ schran2020a

integer, save, public bibliography::schran2020a

Definition at line 43 of file bibliography.F.

◆ schran2020b

integer, save, public bibliography::schran2020b

Definition at line 43 of file bibliography.F.

◆ rycroft2009

integer, save, public bibliography::rycroft2009

Definition at line 43 of file bibliography.F.

◆ thomas2015

integer, save, public bibliography::thomas2015

Definition at line 43 of file bibliography.F.

◆ brehm2018

integer, save, public bibliography::brehm2018

Definition at line 43 of file bibliography.F.

◆ brehm2020

integer, save, public bibliography::brehm2020

Definition at line 43 of file bibliography.F.

◆ shigeta2001

integer, save, public bibliography::shigeta2001

Definition at line 43 of file bibliography.F.

◆ heinecke2016

integer, save, public bibliography::heinecke2016

Definition at line 43 of file bibliography.F.

◆ brehm2021

integer, save, public bibliography::brehm2021

Definition at line 43 of file bibliography.F.

◆ bussy2021a

integer, save, public bibliography::bussy2021a

Definition at line 43 of file bibliography.F.

◆ bussy2021b

integer, save, public bibliography::bussy2021b

Definition at line 43 of file bibliography.F.

◆ ditler2021

integer, save, public bibliography::ditler2021

Definition at line 43 of file bibliography.F.

◆ ditler2022

integer, save, public bibliography::ditler2022

Definition at line 43 of file bibliography.F.

◆ mattiat2019

integer, save, public bibliography::mattiat2019

Definition at line 43 of file bibliography.F.

◆ mattiat2022

integer, save, public bibliography::mattiat2022

Definition at line 43 of file bibliography.F.

◆ belleflamme2023

integer, save, public bibliography::belleflamme2023

Definition at line 43 of file bibliography.F.

◆ knizia2013

integer, save, public bibliography::knizia2013

Definition at line 43 of file bibliography.F.

◆ musaelian2023

integer, save, public bibliography::musaelian2023

Definition at line 43 of file bibliography.F.

◆ eriksen2020

integer, save, public bibliography::eriksen2020

Definition at line 43 of file bibliography.F.

◆ bussy2023

integer, save, public bibliography::bussy2023

Definition at line 43 of file bibliography.F.

◆ wang2018

integer, save, public bibliography::wang2018

Definition at line 43 of file bibliography.F.

◆ zeng2023

integer, save, public bibliography::zeng2023

Definition at line 43 of file bibliography.F.

◆ graml2024

integer, save, public bibliography::graml2024

Definition at line 43 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

◆ siepmann1995

◆ tersoff1988

◆ tosi1964a

◆ tosi1964b

◆ yamada2000

◆ dudarev1997

◆ dudarev1998

◆ dewar1977

◆ dewar1985

◆ rocha2006

◆ stewart1989

◆ thiel1992

◆ repasky2002

◆ stewart2007

◆ weber2008

◆ hunt2003

◆ guidon2008

◆ elber1987

◆ jonsson1998

◆ jonsson2000_1

◆ jonsson2000_2

◆ wales2004