Dear Jay, JAY wrote: > Dear users > > Could anybody send me the fortran code for calculating radius > distribution function? I would like to analyze the MD results. Many thanks.
If you meant "radial distribution function", I think you can find good recipes on how to write it on any molecular dynamics textbook, from the old classics by Frenkel-Smit or Allen-Tildesley to the modern ones. If you are really in trouble I can send you a fortran code from a course on atomistic simulations I followed at University (at the moment I'm not doing molecular dynamics calculations), but I think there are many people doing much more sophisticated things on this forum. They could help you better than me. GS > > -- > Sincerely > > Jay > > > ============================================== > cn: Li, Jiaye > en: Jay Y. Lee > > M.S. in designing and developing novel materials > > Research experience: > *ALD precursor. ie. Metal complexes > *Surface modification. ie. Indium tin oxide, SiO2 > *Gas storage and adsorption. ie. Ionic Liquids > > Skills: > *ab-initial method, DFT simulation and Force Field simulation > > Please contact me at: > 1. jameslipd at gmail.com <mailto:jameslipd at gmail.com> or > 2. jameslibd at gmail.com <mailto:jameslibd at gmail.com> > > ============================================== > > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- o ------------------------------------------------ o | Gabriele Sclauzero, PhD Student | | c/o: SISSA & CNR-INFM Democritos, | | via Beirut 2-4, 34014 Trieste (Italy) | | email: sclauzer at sissa.it | | phone: +39 040 3787 511 | | skype: gurlonotturno | o ------------------------------------------------ o
