etcoupl.h File Reference

#include "hastl.h"
#include "abstree.h"
#include "halocorb.h"
#include "command.h"
#include "hacompmod.h"
#include "hamatdb.h"

Go to the source code of this file.

Classes
class	ETEdge
class	ETNode
class	ETPath
	< class for coupling path between two nodes More...
class	PathStep
class	ETCoupl
	The module to perform computations of donor/acceptor ET coupling. More...
Variables
const int	BEST_PATH = 0 COUPL_MAP = 1
	for ETCoupl::calc_type
const int	HAM_S_DIP_TR = 0 HAM_TR = 1
	for ETCoupl::ham_trunc_type

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Detailed Description

Classes to calculat Electron Transfer donor/acceptor coupling in HARLEM.

Author:

Igor Kurnikov

Date:

1998-2002

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