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
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Program Codes
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Authors
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Features (key)
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ADMIXT
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W. Smith
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MD LJA MIX LF TH MSD RDF
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CARLOS1
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B. Jonsson & S. Romano
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MC VS AQ TH
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CARLOS2
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B. Jonsson & S. Romano
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MC VS AQ TH
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CARLAN
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B. Jonsson & S. Romano
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DA (structure analysis for CARLOS)
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CURDEN
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W. Smith
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DA (Current density correlation)
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DENCOR
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W. Smith
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DA (Density correlation)
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moliq-DYNAMO
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D. Fincham
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MD LJS BHM LF QF TH MSD RDF
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shell-DYNAMO
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D. Fincham
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MD LJS BHM SHELL LF QF TH MSD RDF
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HLJ1
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D. M. Heyes
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MD LJA LF TH MSD RDF
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HLJ2
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D. M. Heyes
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MD LJA LF TH MSD RDF VACF
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HLJ3
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D. M. Heyes
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MD LJA LF LC TH MSD RDF
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HLJ4
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D. M. Heyes
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MD LJA LF CP CT TH MSD RDF
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HLJ5
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D. M. Heyes
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MD LJA LF SF TH MSD RDF
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HLJ6
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D. M. Heyes
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MD LJA TA TH MSD RDF
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HMDIAT3
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S.M. Thompson
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MD LJD G5 Q4 TH MSD QC
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HMDIAT4
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S.M. Thompson
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MD LJD G5 Q4 TH MSD QC
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HMDIAT5
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S.M. Thompson
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MD LJD G5 Q4 TH MSD QC
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HSTOCH
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S.M. Thompson
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MD SD VS BA LF CA TH
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MCN
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N. Corbin
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MC LJA TH
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MCLSU
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C.P. Williams and S. Gupta
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MC LJA TH
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MCMOLDYN
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A. Laaksonen
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MD MC LJS FC AQ LF QF G5 QS TH RDF
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MCRPM
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D. M. Heyes
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MC RPE TH RDF
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MDATOM
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S.M. Thompson
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MD LJA G5 TH RDF MSD QC
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MDATOM
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D. Fincham
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MD LJA LF TH RDF MSD
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MDCSPC4
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W. Smith
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PRMD BHM FC G4 G5 TH STF RDF
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MDDIAT
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D. Fincham
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MD LJD LF CA TH MSD
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MDDIATQ
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D. Fincham
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MD LJD PQ LF CA TH MSD
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MDIONS ver 1
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D. Fincham and N. Anastasiou
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MD BHM LF TH MSD RDF STF
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MDIONS ver 2
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D. Fincham and N. Anastasiou
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MD BHM LF TH MSD RDF STF
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MDLIN
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S.M. Thompson
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MD LJL G5 Q4 TH MSD QC
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MDLINQ
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S.M. Thompson
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MD LJL PQ G5 Q4 TH MSD QC
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MD3DLJ_C
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M. Bargiel, W. Dzwinel, J. Kitowski and J. Moscinski
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MD LJA MIX LF LC TH MSD RTF
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MDMANY
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D. Fincham and W. Smith
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MD LJS FC LF QF TH
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MDMIXT
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W. Smith
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MD LJS MIX LF QF TH
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MDMPOL
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W. Smith and D. Fincham
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MD LJS FC MIX LF QF TH
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MDNACL
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W. Smith
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MD BHM LF TH MSD RDF
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MDPOLY
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S.M. Thompson
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MD LJS G5 Q4 TH MSD QC
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MDMEGA
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W. Smith
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MD LJA DD input
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MDMULP
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W. Smith
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MD LJS PD PQ MIX LF QF TH
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MDSGWP
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W. Smith and K. Singer
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MD LJA SGWP LF TH VACF RDF QC
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MDTETRA
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S.M. Thompson
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MD LJT G5 Q4 TH MSD QC
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MDZOID
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W. Smith
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MD GAU LF QF TH MSD RDF VACF
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MOLDY
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K. Refson
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MD PRMD BHM MIX GEN BE CP RDF more info.
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NAMELIST
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K. Refson
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UT Namelist emulation
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NSCP3D
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M. Bargiel and J. Moscinski
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UT Hard Sphere packing
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PIMCLJ1
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K. Singers and W. Smith
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PIMC MC LJA TH RDF QC
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PIMCLJ2
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K. Singers and W. Smith
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PIMC MC LJA TH RDF QC
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OXON
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K. Singers and W. Smith
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TB BO
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SCN
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N. Corbin
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MC LJA TH RFD
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SFMK1
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A.P. Lyubartsev
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MC-SCF info.
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SFMK2
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A.P. Lyubartsev
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MC-SCF info.
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SLS_PRO
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A. Raine
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MD (proteins) LFTH RFDreadme
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SOTON_PAR1
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M.R.S. Pinches
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MD LJA LC TH worker file info.
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SOTON_PAR2
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M.R.S. Pinches
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MD LJA LC TH worker file info.
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SPINNER1.0
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Mark de Vries
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MC (spin systems in 1,2,3-D) info.
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SURF
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D.M. Heyes
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MD BHM TF 2D LF TH RDF
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Tequila
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A. Wilton and F. Mueller-Plathe
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GP manual
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Tequila Hysteria
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A. Wilton and F. Mueller-Plathe
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GP manual
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XEDS
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D.Nikolow, W. Alda and J. Kitowski
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GP
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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.
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