typesCabana.h

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// n2p2 - A neural network potential package
// Copyright (C) 2018 Andreas Singraber (University of Vienna)
// Copyright (C) 2020 Saaketh Desai and Sam Reeve
//
// This program 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 3 of the License, or
// (at your option) any later version.
//
// This program 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 this program.  If not, see <https://www.gnu.org/licenses/>.
 
#ifndef TYPESCABANAMD_H
#define TYPESCABANAMD_H
 
constexpr double CFLENGTH = 1.889726;
constexpr double CFENERGY = 0.036749;
constexpr double CFFORCE = CFLENGTH / CFENERGY;
 
// Extracted from SymmetryFunction class
enum ScalingType {
    ST_NONE,
    ST_SCALE,
    ST_CENTER,
    ST_SCALECENTER,
    ST_SCALESIGMA
};
 
#endif // TYPES_H