/* * Copyright 2015 Anton Khirnov * * 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 . */ #ifndef BRILL_DATA_BASIS_H #define BRILL_DATA_BASIS_H enum BSEvalType { BS_EVAL_TYPE_VALUE, BS_EVAL_TYPE_DIFF1, BS_EVAL_TYPE_DIFF2, }; enum BasisFamily { BASIS_FAMILY_SB_EVEN, BASIS_FAMILY_COS_EVEN, }; typedef struct BasisSetContext BasisSetContext; BasisSetContext *bdi_basis_init(enum BasisFamily family, double sf); void bdi_basis_free(BasisSetContext **s); double bdi_basis_eval(BasisSetContext *s, enum BSEvalType type, double coord, int order); double bdi_basis_eval_multi(BasisSetContext *s, double coord, double **out, int order_start, int order_end); double bdi_basis_colloc_point(BasisSetContext *s, int idx, int order); #endif /* BRILL_DATA_BASIS_H */