2026-10-14T05:49:05Z https://data.mendeley.com/oai

oai:data.mendeley.com/jtt2g8sg5w.1 2006-04-01T11:00:00Z

CPC, Mendeley A general purpose parallel molecular dynamics simulation program Elsevier Data Repository Abstract We present a general purpose parallel molecular dynamics simulation code. The code can handle NVE, NVT, and NPT ensemble molecular dynamics, Langevin dynamics, and dissipative particle dynamics. Long-range interactions are handled by using the smooth particle mesh Ewald method. The implicit solvent model using solvent-accessible surface area was also implemented. Benchmark results using molecular dynamics, Langevin dynamics, and dissipative particle dynamics are given. Title of program: MM_PAR Catalogue Id: ADXP_v1_0 Nature of problem Structural, thermodynamic, and dynamical properties of fluids and solids from microscopic scales to mesoscopic scales. Versions of this program held in the CPC repository in Mendeley Data ADXP_v1_0; MM_PAR; 10.1016/j.cpc.2005.12.002 ADXP_v2_0; mm_par2.0; 10.1016/j.cpc.2011.08.023 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019) Surface Science Condensed Matter Physics Computational Physics Oh, Kwang Jin Klein, Michael L. Dataset doi:10.17632/jtt2g8sg5w.1 oai:data.mendeley.com/jtt2g8sg5w.1 Computer Physics Communications Journal Licence https://www.elsevier.com/about/policies/open-access-licenses/elsevier-user-license/cpc-license/ https://elsevier.digitalcommonsdata.com/datasets/jtt2g8sg5w 2006-04-01T11:00:00Z