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rLIBMULTISCALE LibMultiScale
domain_meca1d.hh
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/**
* @file domain_meca1d.hh
*
* @author Guillaume Anciaux <guillaume.anciaux@epfl.ch>
* @author Srinivasa Babu Ramisetti <srinivasa.ramisetti@epfl.ch>
*
* @date Fri Jul 11 15:47:44 2014
*
* @brief Domain for the 1D finite element engine of LibMultiScale
*
* @section LICENSE
*
* Copyright INRIA and CEA
*
* The LibMultiScale is a C++ parallel framework for the multiscale
* coupling methods dedicated to material simulations. This framework
* provides an API which makes it possible to program coupled simulations
* and integration of already existing codes.
*
* This Project was initiated in a collaboration between INRIA Futurs Bordeaux
* within ScAlApplix team and CEA/DPTA Ile de France.
* The project is now continued at the Ecole Polytechnique Fédérale de Lausanne
* within the LSMS/ENAC laboratory.
*
* This software is governed by the CeCILL-C license under French law and
* abiding by the rules of distribution of free software. You can use,
* modify and/ or redistribute the software under the terms of the CeCILL-C
* license as circulated by CEA, CNRS and INRIA at the following URL
* "http://www.cecill.info".
*
* As a counterpart to the access to the source code and rights to copy,
* modify and redistribute granted by the license, users are provided only
* with a limited warranty and the software's author, the holder of the
* economic rights, and the successive licensors have only limited
* liability.
*
* In this respect, the user's attention is drawn to the risks associated
* with loading, using, modifying and/or developing or reproducing the
* software by the user in light of its specific status of free software,
* that may mean that it is complicated to manipulate, and that also
* therefore means that it is reserved for developers and experienced
* professionals having in-depth computer knowledge. Users are therefore
* encouraged to load and test the software's suitability as regards their
* requirements in conditions enabling the security of their systems and/or
* data to be ensured and, more generally, to use and operate it in the
* same conditions as regards security.
*
* The fact that you are presently reading this means that you have had
* knowledge of the CeCILL-C license and that you accept its terms.
*
*/
#ifndef __LIBMULTISCALE_DOMAIN_MECA1D_HH__
#define __LIBMULTISCALE_DOMAIN_MECA1D_HH__
/* -------------------------------------------------------------------------- */
#include "domain_continuum.hh"
#include "ref_elem_meca1d.hh"
#include "ref_node_meca1d.hh"
#include "mesh_meca1d.hh"
#include "container_meca1d.hh"
/* -------------------------------------------------------------------------- */
__BEGIN_LIBMULTISCALE__
/**
* Class DomainContinuum
* Domain implementation by our 1D implementation
*/
class
DomainMeca1D
:
public
DomainContinuum
<
ContainerElemsMeca1D
,
ContainerNodesMeca1D
,
1u
>
{
/* ------------------------------------------------------------------------ */
/* Constructors/Destructors */
/* ------------------------------------------------------------------------ */
public
:
DomainMeca1D
(
DomainID
ID
,
CommGroup
GID
)
:
DomainContinuum
<
ContainerElemsMeca1D
,
ContainerNodesMeca1D
,
1u
>
(
ID
,
GID
),
mymesh
(
NULL
){
multiple_timestep_freq
=
1
;
arlequin_flag
=
false
;
elastic_flag
=
false
;
thermal_flag
=
false
;
}
/* ------------------------------------------------------------------------ */
/* Typedefs */
/* ------------------------------------------------------------------------ */
typedef
MeshMeca1D
::
VecMeca1D
_Vec_
;
/* ------------------------------------------------------------------------ */
/* Friends */
/* ------------------------------------------------------------------------ */
friend
class
DomainContinuumInterface
;
/* ------------------------------------------------------------------------ */
/* Methods */
/* ------------------------------------------------------------------------ */
public
:
virtual
void
init
();
//! position update
void
performStep1
();
//! velocity update
void
performStep3
();
//!force and acceleration updates
void
performStep2
();
//! parallel synch empty here because not parallel
virtual
void
fixChanges
(){};
//! returns whether an md domain is perdiodic in direction dir
virtual
bool
isPeriodic
(
UInt
dir
);
protected
:
//! updates temperature derivatives
void
updateHeatRate
(
int
i
);
//! implementation to allow each line to be parsed
void
declareParams
();
private
:
UInt
UpdateNodeForce
(
UInt
i
);
/* ------------------------------------------------------------------------ */
/* Accessors */
/* ------------------------------------------------------------------------ */
public
:
//! set current step to a given value
void
setCurrentStep
(
UInt
ts
){
current_step
=
ts
;};
//! set internal timestep to a given value
void
setTimeStep
(
Real
ts
){
LM_TOIMPLEMENT
;};
//! get current step to a given value
UInt
getCurrentStep
(){
return
current_step
;};
//! get mass vector
Array
&
getMass
(){
return
mymesh
->
m
;};
//! get initial position vector
Array
&
getP0
(){
return
mymesh
->
p0
;};
//! get initial position vector
Array
&
getV
(){
return
mymesh
->
v
;};
//! get displacement vector
Array
&
getU
(){
return
mymesh
->
u
;};
//! get displacement vector
Array
&
getF
(){
LM_TOIMPLEMENT
;
return
mymesh
->
u
;};
//! get temperature vector
Array
&
getT
(){
LM_TOIMPLEMENT
;
return
mymesh
->
u
;};
//! get temperature variation vector
Array
&
getTVar
(){
LM_TOIMPLEMENT
;
return
mymesh
->
u
;};
//! get temperature capacity vector
Array
&
getCapacity
(){
LM_TOIMPLEMENT
;
return
mymesh
->
u
;};
//! get acceleration vector
Array
&
getAcceleration
(){
LM_TOIMPLEMENT
;
return
mymesh
->
u
;};
//! get mass of node i
Real
getMass
(
UInt
i
){
return
mymesh
->
m
[
i
];};
/************* functions for AMELCG **************/
//! return product of force by descent direction (for AMELCG)
Real
getFdotDir
(){
return
0
;};
//! return max of forces (for AMELCG)
Real
getFMax
(){
return
0
;};
//! return max of direction vector (for AMELCG)
Real
getDirMax
(){
return
0
;};
//! return norm 2 of forces (for AMELCG)
Real
getFNorm2
(){
return
0
;};
//! return stuff for AMELCG
Real
getFdotOldF
(){
return
0
;};
//! update direction AMELCG
void
updateDirection
(
Real
beta
){};
//! return stuff for AMELCG
void
saveForceVector
(){};
//! displace in descent direction with given magnitude
void
displaceTowardsDirection
(
Real
alpha
){};
//! get amount of work done by external forces
Real
getExternalWork
(){
return
0
;};
//! set amount of work done by external forces
void
setExternalWork
(
Real
work
){};
void
getSubDomainDimensions
(
Real
*
xmin
,
Real
*
xmax
){
LM_TOIMPLEMENT
;};
void
getDomainDimensions
(
Real
*
xmin
,
Real
*
xmax
){
*
xmax
=
mymesh
->
p0
[
mymesh
->
nbNodes
()
-
1
];
*
xmax
=
mymesh
->
p0
[
0
];
};
/* ------------------------------------------------------------------------ */
/* Class Members */
/* ------------------------------------------------------------------------ */
private
:
//! associated mesh
MeshMeca1D
*
mymesh
;
//! cutoff radius for the cauchy born rule
Quantity
<
Length
>
rcut
;
//! interatomic initial distance
Quantity
<
Length
>
r0
;
//! sigma parameter for lennard jones
Quantity
<
Length
>
sigma
;
//! epsilon parameter for lennard jones
Quantity
<
Energy
>
epsilon
;
//! multiple timestep flag
UInt
multiple_timestep_freq
;
/* ------------------------------------------------------------------------ */
//old material stuff
/* ------------------------------------------------------------------------ */
//! size of elements
Quantity
<
Length
>
element_size
;
//! flag for arlequin
bool
arlequin_flag
;
//! flag for elastic material
bool
elastic_flag
;
//! flag for activating thermal computations
bool
thermal_flag
;
//! thermal capacity
Real
capacity
;
//! thermal conductivity
Real
conductivity
;
//! atomic mass
Quantity
<
Mass
>
mass
;
//! file where to laod the nodal cooedinates
std
::
string
mesh_file
;
};
/* -------------------------------------------------------------------------- */
__END_LIBMULTISCALE__
#endif
/* __LIBMULTISCALE_DOMAIN_MECA1D_HH__ */
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