Object-oriented programming paradigms for molecular modeling

Molecular Simulation

Volumn 29, Issue 1, 2003, Pages 29-46

  Gupta, Amit ^a   Chempath, Shaji ^a   Sanborn, Martin J ^a   Clark, Louis A ^a   Snurr, Randall Q ^a  

^a Northwestern University   (United States)

Author keywords

Fortran 90; Hybrid Monte Carlo; Molecular simulation; Object oriented programming

Indexed keywords

CODES (SYMBOLS); COMPUTER AIDED DESIGN; COMPUTER APPLICATIONS; COMPUTER MUSIC; COMPUTER PROGRAMMING LANGUAGES; COMPUTER SIMULATION; FORTRAN (PROGRAMMING LANGUAGE); INTERFACES (COMPUTER); MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; ZEOLITES;

FLEXIBLE SORBATE MOLECULES; FORTRAN 90; HYBRID MONTE CARLO; MOLECULAR SIMULATION;

OBJECT ORIENTED PROGRAMMING;

EID: 0037895903     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/0892702031000065719     Document Type: Article

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