CCP5 Program Library

CCP5 maintains a large collection of simulation and program codes for download. The programs are provided on condition that applicants do not exploit the programs for commercial purposes e.g. for resale or distribution as part or whole of a commercial product.


Computer Simulation of Liquids (Oxford 1987)

Readers should also note that we are authorised to supply the example programs originally published in the book Computer Simulation of Liquids, by M.P. Allen and D.J. Tildesley (Clarendon Press, Oxford 1987). These are supplied in the same manner as the resident CCP5 programs. We are grateful to Mike Allen and Dominic Tildesley for their permission.

Computer simulation of Liquid (2nd Editions, 2017)
The latest edition of the book has now published. To assess the accompanying program examples (Fortran 2003/08 and Phyton) pleas click here.

 

We should also like to remind readers of this page that we would welcome further contributions to the Program Library. The Library exists to provide support for the research efforts of everyone active in computer simulation and to this end we are always pleased to extend the range of software available. If any of our readers have any programs they would like to make available, please would they contact Dr. John Purton.

Library Contents

 

Program Codes

Authors

Features (key)

ADMIXT

W. Smith

MD LJA MIX LF TH MSD RDF

CARLOS1

B. Jonsson & S. Romano

MC VS AQ TH

CARLOS2

B. Jonsson & S. Romano

MC VS AQ TH

CARLAN

B. Jonsson & S. Romano

DA (structure analysis for CARLOS)

CURDEN

W. Smith

DA (Current density correlation)

DENCOR

W. Smith

DA (Density correlation)

moliq-DYNAMO

D. Fincham

MD LJS BHM LF QF TH MSD RDF

shell-DYNAMO

D. Fincham

MD LJS BHM SHELL LF QF TH MSD RDF

HLJ1

D. M. Heyes

MD LJA LF TH MSD RDF

HLJ2

D. M. Heyes

MD LJA LF TH MSD RDF VACF

HLJ3

D. M. Heyes

MD LJA LF LC TH MSD RDF

HLJ4

D. M. Heyes

MD LJA LF CP CT TH MSD RDF

HLJ5

D. M. Heyes

MD LJA LF SF TH MSD RDF

HLJ6

D. M. Heyes

MD LJA TA TH MSD RDF

HMDIAT3

S.M. Thompson

MD LJD G5 Q4 TH MSD QC

HMDIAT4

S.M. Thompson

MD LJD G5 Q4 TH MSD QC

HMDIAT5

S.M. Thompson

MD LJD G5 Q4 TH MSD QC

HSTOCH

S.M. Thompson

MD SD VS BA LF CA TH

MCN

N. Corbin

MC LJA TH

MCLSU

C.P. Williams and S. Gupta

MC LJA TH

MCMOLDYN

A. Laaksonen

MD MC LJS FC AQ LF QF G5 QS TH RDF

MCRPM

D. M. Heyes

MC RPE TH RDF

MDATOM

S.M. Thompson

MD LJA G5 TH RDF MSD QC

MDATOM

D. Fincham

MD LJA LF TH RDF MSD

MDCSPC4

W. Smith

PRMD BHM FC G4 G5 TH STF RDF

MDDIAT

D. Fincham

MD LJD LF CA TH MSD

MDDIATQ

D. Fincham

MD LJD PQ LF CA TH MSD

MDIONS ver 1

D. Fincham and N. Anastasiou

MD BHM LF TH MSD RDF STF

MDIONS ver 2

D. Fincham and N. Anastasiou

MD BHM LF TH MSD RDF STF

MDLIN

S.M. Thompson

MD LJL G5 Q4 TH MSD QC

MDLINQ

S.M. Thompson

MD LJL PQ G5 Q4 TH MSD QC

MD3DLJ_C

M. Bargiel, W. Dzwinel, J. Kitowski and J. Moscinski

MD LJA MIX LF LC TH MSD RTF

MDMANY

D. Fincham and W. Smith

MD LJS FC LF QF TH

MDMIXT

W. Smith

MD LJS MIX LF QF TH

MDMPOL

W. Smith and D. Fincham

MD LJS FC MIX LF QF TH

MDNACL

W. Smith

MD BHM LF TH MSD RDF

MDPOLY

S.M. Thompson

MD LJS G5 Q4 TH MSD QC

MDMEGA

W. Smith

MD LJA DD input

MDMULP

W. Smith

MD LJS PD PQ MIX LF QF TH

MDSGWP

W. Smith and K. Singer

MD LJA SGWP LF TH VACF RDF QC

MDTETRA

S.M. Thompson

MD LJT G5 Q4 TH MSD QC

MDZOID

W. Smith

MD GAU LF QF TH MSD RDF VACF

MOLDY

K. Refson

MD PRMD BHM MIX GEN BE CP RDF more info.

NAMELIST

K. Refson

UT Namelist emulation

NSCP3D

M. Bargiel and J. Moscinski

UT Hard Sphere packing

PIMCLJ1

K. Singers and W. Smith

PIMC MC LJA TH RDF QC

PIMCLJ2

K. Singers and W. Smith

PIMC MC LJA TH RDF QC

OXON

K. Singers and W. Smith

TB BO

SCN

N. Corbin

MC LJA TH RFD

SFMK1

A.P. Lyubartsev

MC-SCF info.

SFMK2

A.P. Lyubartsev

MC-SCF info.

SLS_PRO

A. Raine

MD (proteins) LFTH RFDreadme

SOTON_PAR1

M.R.S. Pinches

MD LJA LC TH worker file info.

SOTON_PAR2

M.R.S. Pinches

MD LJA LC TH worker file info.

SPINNER1.0

Mark de Vries

MC (spin systems in 1,2,3-D) info.

SURF

D.M. Heyes

MD BHM TF 2D LF TH RDF

Tequila

A. Wilton and F. Mueller-Plathe

GP manual

Tequila Hysteria

A. Wilton and F. Mueller-Plathe

GP manual

XEDS

D.Nikolow, W. Alda and J. Kitowski

GP

Software as provided from the book Computer Simulation of Liquids, by M.P. Allen and D.J. Tildesley

Users should not redistribute or sell the programs, nor is any liability accepted for their use, either by STFC or the program authors. It is a requirement on the user that the programs be fully tested for their intended purpose. Any errors found should be reported to the librarian, for the benefit of other users.

 

© 2012 - 2017 CCP5, all rights reserved.