cosmetic
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/*
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* This function fills in the keyword field, the number of members for each
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* item and the number of parameters for each item
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*
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*/
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* This function fills in the keyword field, the number of members for each
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* item and the number of parameters for each item
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*
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*/
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#include "msi2lmp.h"
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#include "Forcefield.h"
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/*
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* This function opens the .car file and extracts coordinate information
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* into the atoms Atom structure
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*/
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* This function opens the .car file and extracts coordinate information
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* into the atoms Atom structure
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*/
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#include "msi2lmp.h"
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/*
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* This routine reads the data from a .frc forcefield file and stores it in
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* dynamically allocated memory. This allows for fast searches of the
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* file.
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*
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*/
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* This routine reads the data from a .frc forcefield file and stores it in
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* dynamically allocated memory. This allows for fast searches of the
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* file.
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*/
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#include "msi2lmp.h"
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#include "Forcefield.h"
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/******************************
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*
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* This function opens the .mdf file and extracts connectivity information
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* into the atoms Atom structure. It also updates the charge from the .car
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* file because the charge in the .mdf file has more significant figures.
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*
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*/
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*
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* This function opens the .mdf file and extracts connectivity information
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* into the atoms Atom structure. It also updates the charge from the .car
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* file because the charge in the .mdf file has more significant figures.
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*/
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#include "msi2lmp.h"
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/*
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* This function creates and writes the data file to be used with LAMMPS
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*/
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* This function creates and writes the data file to be used with LAMMPS
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*/
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#include "msi2lmp.h"
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