hacompmod.h File Reference

#include "haconst.h"
#include "hastl.h"
#include "hastring.h"

Go to the source code of this file.

Classes
class	HaCompMod
	Parent class for computational modules in HARLEM. More...
Variables
const int	COMP_MOD_ELECTROST = 0x0001
	mtype for the continuum electrostatics module
const int	COMP_MOD_ET_COUPL = 0x0002
	mtype for the electron transfer module
const int	COMP_MOD_QCHEM = 0x0003
	mtype for the quantum chemical module
const int	COMP_MOD_GAUSSIAN = 0x0004
	mtype for the Gaussian interaction module
const int	COMP_MOD_DALTON = 0x0005
	mtype for the Dalton interaction module
const int	COMP_MOD_INTERMOL = 0x0006
	mtype for the intermolecular interaction module
const int	COMP_MOD_MOLMECH = 0x0007
	mtype for the molecular mechanics module
const int	COMP_MOD_SCATTER = 0x0008
	mtype for the scattering computations module
const int	COMP_MOD_STM = 0x0009
	mtype for the STM simulations module
const int	COMP_MOD_NUCL_ACID = 0x0010
	mtype for the DNA modeling module

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Detailed Description

base class for computational modules in HARLEM

Author:

Igor Kurnikov

Date:

1999-2002

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