Difference between revisions of "Software:dl poly"
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* '''Related link''': [http://www.ccp5.ac.uk/DL_POLY_CLASSIC/ POLY_DL Classic Home Page] | * '''Related link''': [http://www.ccp5.ac.uk/DL_POLY_CLASSIC/ POLY_DL Classic Home Page] | ||
* '''Documentation''': [http://www.ccp5.ac.uk/DL_POLY_CLASSIC/MANUALS/USRMAN.pdf User's Manual in pdf format] | * '''Documentation''': [http://www.ccp5.ac.uk/DL_POLY_CLASSIC/MANUALS/USRMAN.pdf User's Manual in pdf format] | ||
| + | * '''Note''': There are two executables DLPOLY.gfortran.X and DLPOLY.Intel.X that are compiled with different compilers. Before executing the gfortran version, the "use openmpi" command should be issued. Before executing the Intel version, tghe "use icsmpi" command should be issued. | ||
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* '''Related Software''': | * '''Related Software''': | ||
Latest revision as of 16:39, 13 September 2016
DL_POLY (Classic)
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DL_POLY Classic is a general purpose molecular dynamics simulation package. It is based on the package DL_POLY_2, which was originally developed for the EPSRC's Collaborative Computational Project for the Computer Simulation of Condensed Phases (CCP5).
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