Searched defs:first_atoms (Results 1 – 5 of 5) sorted by relevance
35 int[] first_atoms = {0, 0, 0, 0, 3, 3, 3}; in testZmatrixToCartesian_arraydouble_arrayint_arraydouble_arrayint_arraydouble_arrayint() local
57 … public static Point3d[] zmatrixToCartesian(double[] distances, int[] first_atoms, double[] angles, in zmatrixToCartesian()
42 header_t first_atoms[256]; variable
235 EXTERN header_t first_atoms[]; variable
1003 const int* first_atoms = nullptr; in clean_vsite_bonds() local1239 const int* first_atoms = nullptr; in clean_vsite_angles() local1393 const int* first_atoms = nullptr; in clean_vsite_dihs() local