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PaqAtcUtility.h
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Mon, Sep 9, 20:56
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Wed, Sep 11, 20:56 (2 d)
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rLAMMPS lammps
PaqAtcUtility.h
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// A class for defining atomic information used by the per-atom quantities
// this is required so they can be templatized
#ifndef PAQ_ATC_UTILITY_H
#define PAQ_ATC_UTILITY_H
#include "ATC_TypeDefs.h"
#include "Array.h"
#include "ATC_Error.h"
namespace
ATC
{
// forward declarations
class
ATC_Method
;
class
FE_Engine
;
class
PaqAtcUtility
{
public:
// constructor
PaqAtcUtility
(
ATC_Method
*
atc
,
AtomType
atomType
=
NO_ATOMS
);
// destructor
~
PaqAtcUtility
()
{};
// get the number of local atoms associated with this type
int
nlocal
()
const
;
// get the total number of atoms on this processor
int
nlocal_total
()
const
;
/** get the number of spatial dimensions */
int
nsd
()
const
;
/** get the timestep size */
double
dt
()
const
;
/** get the map from atc to lammps indexing for this type */
const
Array
<
int
>
&
atc_to_lammps_map
()
const
;
/** access to the engine */
const
FE_Engine
*
fe_engine
()
const
;
protected:
/** pointer to atc object */
ATC_Method
*
atc_
;
/** type of atoms this quantity applies to */
AtomType
atomType_
;
/** function pointer to number of local atoms for this quantity */
int
(
ATC_Method
::*
myNlocal
)()
const
;
private:
// do not define
PaqAtcUtility
();
};
}
#endif
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