diff --git a/src/lagrangian/molecularDynamics/molecule/Make/files b/src/lagrangian/molecularDynamics/molecule/Make/files index a490edafe1..0bb1acc49b 100755 --- a/src/lagrangian/molecularDynamics/molecule/Make/files +++ b/src/lagrangian/molecularDynamics/molecule/Make/files @@ -11,9 +11,6 @@ referredMolecule = referredMolecule referredCellList = referredCellList referredCell = referredCell referralLists = referralLists - -tetherPotential = tetherPotential - $(distribution)/distribution.C $(reducedUnits)/reducedUnits.C diff --git a/src/lagrangian/molecularDynamics/molecule/tetherPotential/tetherPotential.C b/src/lagrangian/molecularDynamics/molecule/tetherPotential/tetherPotential.C deleted file mode 100755 index 46c097b36d..0000000000 --- a/src/lagrangian/molecularDynamics/molecule/tetherPotential/tetherPotential.C +++ /dev/null @@ -1,94 +0,0 @@ -/*---------------------------------------------------------------------------*\ - ========= | - \\ / F ield | OpenFOAM: The Open Source CFD Toolbox - \\ / O peration | - \\ / A nd | Copyright (C) 1991-2005 OpenCFD Ltd. - \\/ M anipulation | -------------------------------------------------------------------------------- -License - This file is part of OpenFOAM. - - OpenFOAM is free software; you can redistribute it and/or modify it - under the terms of the GNU General Public License as published by the - Free Software Foundation; either version 2 of the License, or (at your - option) any later version. - - OpenFOAM is distributed in the hope that it will be useful, but WITHOUT - ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or - FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License - for more details. - - You should have received a copy of the GNU General Public License - along with OpenFOAM; if not, write to the Free Software Foundation, - Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA - -\*----------------------------------------------------------------------------*/ - -#include "tetherPotential.H" - -namespace Foam -{ - -// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // - -tetherPotential::tetherPotential() -{} - - -tetherPotential::tetherPotential -( - const word& tetherPotentialName, - const word& tetherPotentialType, - const scalar springConstant -) -: - tetherPotentialName_(tetherPotentialName), - tetherPotentialType_(tetherPotentialType), - springConstant_(springConstant) -{} - - -// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * // - -tetherPotential::~tetherPotential() -{} - - -// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // - -void tetherPotential::write(Ostream& os) const -{ - os << tetherPotentialName_ - << nl << tetherPotentialType_ - << nl << springConstant_ - << endl; -} - - -scalar tetherPotential::force(const scalar rITMag) const -{ - return -springConstant_ * rITMag; -} - - -scalar tetherPotential::energy(const scalar rITMag) const -{ - return 0.5*springConstant_*rITMag*rITMag; -} - - -// * * * * * * * * * * * * * * * Friend Functions * * * * * * * * * * * * * // - -Ostream& operator<<(Ostream& os, const tetherPotential& pot) -{ - pot.write(os); - os.check("Ostream& operator<<(Ostream& f, const tetherPotential& pot"); - return os; -} - - -// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // - -} // End namespace Foam - -// ************************************************************************* // diff --git a/src/lagrangian/molecularDynamics/molecule/tetherPotential/tetherPotential.H b/src/lagrangian/molecularDynamics/molecule/tetherPotential/tetherPotential.H deleted file mode 100755 index afa9a35e69..0000000000 --- a/src/lagrangian/molecularDynamics/molecule/tetherPotential/tetherPotential.H +++ /dev/null @@ -1,125 +0,0 @@ -/*---------------------------------------------------------------------------*\ - ========= | - \\ / F ield | OpenFOAM: The Open Source CFD Toolbox - \\ / O peration | - \\ / A nd | Copyright (C) 1991-2005 OpenCFD Ltd. - \\/ M anipulation | -------------------------------------------------------------------------------- -License - This file is part of OpenFOAM. - - OpenFOAM is free software; you can redistribute it and/or modify it - under the terms of the GNU General Public License as published by the - Free Software Foundation; either version 2 of the License, or (at your - option) any later version. - - OpenFOAM is distributed in the hope that it will be useful, but WITHOUT - ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or - FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License - for more details. - - You should have received a copy of the GNU General Public License - along with OpenFOAM; if not, write to the Free Software Foundation, - Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA - -Class - Foam::tetherPotential - -Description - -SourceFiles - tetherPotentialI.H - tetherPotential.C - -\*---------------------------------------------------------------------------*/ - -#ifndef tetherPotential_H -#define tetherPotential_H - -#include "vector.H" - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -namespace Foam -{ - -/*---------------------------------------------------------------------------*\ - Class tetherPotential Declaration -\*---------------------------------------------------------------------------*/ - -class tetherPotential -{ - // Private data - - // At the moment this is hard coded to be a "harmonicSpring" - // potential. In future use templated classes virtual functions, - // function pointers and all kinds of good stuff to make this a - // generic tether force, - - word tetherPotentialName_; - - word tetherPotentialType_; - - scalar springConstant_; - - -public: - - // Constructors - - //- Construct null - tetherPotential(); - - //- Construct from components - tetherPotential - ( - const word& tetherPotentialName, - const word& tetherPotentialType, - const scalar springConstant_ - ); - - - // Destructor - - virtual ~tetherPotential(); - - - // Member Functions - - // Access - - inline const word& tetherPotentialName() const; - - inline const word& tetherPotentialType() const; - - inline scalar springConstant() const; - - scalar force(const scalar rITMag) const; - - scalar energy(const scalar rITMag) const; - - - // Write - - virtual void write(Ostream&) const; - - - // IOstream Operators - - friend Ostream& operator<<(Ostream&, const tetherPotential&); -}; - - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -} // End namespace Foam - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -#include "tetherPotentialI.H" - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -#endif - -// ************************************************************************* // diff --git a/src/lagrangian/molecularDynamics/molecule/tetherPotential/tetherPotentialI.H b/src/lagrangian/molecularDynamics/molecule/tetherPotential/tetherPotentialI.H deleted file mode 100755 index d9ca0dae1a..0000000000 --- a/src/lagrangian/molecularDynamics/molecule/tetherPotential/tetherPotentialI.H +++ /dev/null @@ -1,56 +0,0 @@ -/*---------------------------------------------------------------------------*\ - ========= | - \\ / F ield | OpenFOAM: The Open Source CFD Toolbox - \\ / O peration | - \\ / A nd | Copyright (C) 1991-2005 OpenCFD Ltd. - \\/ M anipulation | -------------------------------------------------------------------------------- -License - This file is part of OpenFOAM. - - OpenFOAM is free software; you can redistribute it and/or modify it - under the terms of the GNU General Public License as published by the - Free Software Foundation; either version 2 of the License, or (at your - option) any later version. - - OpenFOAM is distributed in the hope that it will be useful, but WITHOUT - ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or - FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License - for more details. - - You should have received a copy of the GNU General Public License - along with OpenFOAM; if not, write to the Free Software Foundation, - Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA - -\*---------------------------------------------------------------------------*/ - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -namespace Foam -{ - -// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // - -inline const word& tetherPotential::tetherPotentialName() const -{ - return tetherPotentialName_; -} - - -inline const word& tetherPotential::tetherPotentialType() const -{ - return tetherPotentialType_; -} - - -inline scalar tetherPotential::springConstant() const -{ - return springConstant_; -} - - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -} // End namespace Foam - -// ************************************************************************* // diff --git a/src/lagrangian/molecularDynamics/molecule/tetherPotential/tetherPotentialList.C b/src/lagrangian/molecularDynamics/molecule/tetherPotential/tetherPotentialList.C deleted file mode 100755 index ac32daf60f..0000000000 --- a/src/lagrangian/molecularDynamics/molecule/tetherPotential/tetherPotentialList.C +++ /dev/null @@ -1,146 +0,0 @@ -/*---------------------------------------------------------------------------*\ - ========= | - \\ / F ield | OpenFOAM: The Open Source CFD Toolbox - \\ / O peration | - \\ / A nd | Copyright (C) 1991-2005 OpenCFD Ltd. - \\/ M anipulation | -------------------------------------------------------------------------------- -License - This file is part of OpenFOAM. - - OpenFOAM is free software; you can redistribute it and/or modify it - under the terms of the GNU General Public License as published by the - Free Software Foundation; either version 2 of the License, or (at your - option) any later version. - - OpenFOAM is distributed in the hope that it will be useful, but WITHOUT - ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or - FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License - for more details. - - You should have received a copy of the GNU General Public License - along with OpenFOAM; if not, write to the Free Software Foundation, - Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA - -\*----------------------------------------------------------------------------*/ - -#include "tetherPotentialList.H" - -namespace Foam -{ - -// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * // - -label tetherPotentialList::tetherPotentialIndex(const label a) -{ - label index(findIndex(tetherIds_,a)); - - if (index == -1) - { - FatalErrorIn - ( - "Foam::tetherPotentialList::tetherPotentialIndex(const label a)" - ) - << "Attempting to access a tetherPotential with an unknown id" - << abort(FatalError); - - return 0; - } - else - { - return index; - } -} - - -// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // - -Foam::tetherPotentialList::tetherPotentialList() -: - List () -{} - - -Foam::tetherPotentialList::tetherPotentialList -( - const List