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wLake 1.7 algrithm = Min vertices then return NULL If G is complete then return G Vmin := a vertex from G with the minimal valence Vs := { Vmin } {vertices connected with Vmin } Es := {edges connecting any pair of vertices Vs} G' := new Graph () For each V Vs do Add copy of V into G' For each E Es do Add copy of E into G' Delete Vmin from G return wLake (G) wLake (G') This generally exponential The result of the program is a list of ConWMs. ...

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External modules for the Gibbs program The Gibbs program has several built-in non-ideality models which can be used for the calculation of activity coefficients for real solutions: the extended Debye-HЭckel model for aqueous solutions, the modified Peng- Robinson model for gaseous (or liquid) solutions, the Non-Random-Two-Liquid model for liquid solutions, the Mixing-on-Sites model for solid solutions, Subregular and Redlich-Kister models for solid and liquid solutions. ... Attach external modules). ...

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Lib-DVM - detailed design (contents) . Part 1(1-7) . ... Error messages (12.16-12.18) . ... 12.16 Allocating and freeing memory . RTS err 200.000: no memory . ... Allocation memory failure by calloc function. RTS err 200.001: invalid calloc parameters . ... RTS err 200.002: no memory . ... RTS err 200.003: no memory . ... RTS err 200.005: no memory . ... RTS err 200.006: no memory . ... RTS err 200.008: no memory . ... RTS fatal err 214.002: function gns_senda does not exist . ...

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... We are recursive, because we also want to fill the fileid cache. Parameters: fileid -- fileid whose path is to be determined. path_list -- existing path components. Ought to be the empty list for the first invocation. if fileid in self . fileid _cache: return self . fileid _cache[ fileid ] debug ( Working with fileid '%s' % ( fileid )) self .dbc.execute( select name , parent_ fileid from + metadata_tbl + where fileid = %s , ( fileid )) result = c.fetchone() if ...

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О лаборатории . ... Лаборатория теоретической биофизики . ... This python script is capable of generating a set of GAMESS input files for potential energy surface scanning. ... Main script ?pes-scan.py? #!/usr/bin/python #################################### # Potential energy surface scanner # # by piton at erg .biophys.msu.ru # #################################### import os, sys, string, re, copy, threading, xml.dom.minidom from stat import ... 2011 ERG Research Group . ...

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32. Moodle пєп?п?п? п?п?пе: Login to the site

33. http://www.mce.biophys.msu.ru/archive/doc184586/eng.pdf

34. http://genphys.phys.msu.su/mikromag/javalib.jc

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