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Tantribology / lammps-hppi

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Free_energy callculations. #3

Open GoogleCodeExporter opened 8 years ago

GoogleCodeExporter commented 8 years ago 
Technology to calculate Free energy of system.

Original issue reported on code.google.com by Dmitry.Dudalov@gmail.com on 17 Aug 2010 at 7:11

GoogleCodeExporter commented 8 years ago 
I have some scripts there:

http://code.google.com/p/lammps-hppi/source/browse/branches/work/free_energy/scr
ipts/

Original comment by Dmitry.Dudalov@gmail.com on 22 Aug 2010 at 5:56

GoogleCodeExporter commented 8 years ago 
Additional variant with scipy and python r64

Original comment by Dmitry.Dudalov@gmail.com on 8 Oct 2010 at 9:41