MACSIMUS
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F10%3A00023323" target="_blank" >RIV/60461373:22340/10:00023323 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
MACSIMUS
Original language description
MACSIMUS is a free open-source package for classical molecular modeling and simulation maintained by Jiri Kolafa. It implements most standard atomistic molecular models (Lennard-Jones, exp6, Buckingham), methods (Verlet/SHAKE and Gear; Ewald summation),thermostats (Nose-Hoover, Berendsen, Andersen), barostat. Range of supported quantitues include RDFs, structure factor, full pressure tensor, viscosity (EMD, NEMD), surface and interfacial tension, conductivity, cross section, essential dynamics, etc. Although the name is derived from MACromolecular SIMUlation Software, it is now oriented to models with polarizability. It comes with a number of utilities including trajectory viewer. The code is optimized by the linked-cell list method and thread-based parallelization. The package is available at http://www.vscht.cz/fch/software/macsimus
Czech name
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Czech description
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Classification
Type
R - Software
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach
Others
Publication year
2010
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Internal product ID
403
Technical parameters
http://www.vscht.cz/fch/software/macsimus
Economical parameters
Úspora nákladů oproti komerčnímu software se stejným zaměřením.
Owner IČO
60461373
Owner name
VŠCHT Praha