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Diffstat (limited to 'basis.h')
-rw-r--r-- | basis.h | 40 |
1 files changed, 40 insertions, 0 deletions
@@ -0,0 +1,40 @@ +/* + * Copyright 2015 Anton Khirnov <anton@khirnov.net> + * + * 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 <http://www.gnu.org/licenses/>. + */ + +#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, +}; + +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_colloc_point(BasisSetContext *s, int idx, int order); + +#endif /* BRILL_DATA_BASIS_H */ |