*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2010,2014,2015,2016,2018, by the GROMACS development team, led by
+ * Copyright (c) 2010,2014,2015,2016,2018,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
void rotate_atoms(int gnx, const int index[], rvec x[], matrix trans);
/* Rotate all atoms in index using matrix trans */
-void principal_comp(int n, const int index[], t_atom atom[], rvec x[],
- matrix trans, rvec d);
+void principal_comp(int n, const int index[], t_atom atom[], rvec x[], matrix trans, rvec d);
/* Calculate the principal components of atoms in index. Atoms are
* mass weighted. It is assumed that the center of mass is in the origin!
*/
-void orient_princ(const t_atoms *atoms, int isize, const int *index,
- int natoms, rvec x[], rvec *v, rvec d);
+void orient_princ(const t_atoms* atoms, int isize, const int* index, int natoms, rvec x[], rvec* v, rvec d);
/* rotates molecule to align principal axes with coordinate axes */
-real calc_xcm(const rvec x[], int gnx, const int *index, const t_atom *atom, rvec xcm,
- gmx_bool bQ);
+real calc_xcm(const rvec x[], int gnx, const int* index, const t_atom* atom, rvec xcm, gmx_bool bQ);
/* Calculate the center of mass of the atoms in index. if bQ then the atoms
* will be charge weighted rather than mass weighted.
* Returns the total mass/charge.
*/
-real sub_xcm(rvec x[], int gnx, const int *index, const t_atom atom[], rvec xcm,
- gmx_bool bQ);
+real sub_xcm(rvec x[], int gnx, const int* index, const t_atom atom[], rvec xcm, gmx_bool bQ);
/* Calc. the center of mass and subtract it from all coordinates.
* Returns the original center of mass in xcm
* Returns the total mass
*/
-void add_xcm(rvec x[], int gnx, const int *index, rvec xcm);
+void add_xcm(rvec x[], int gnx, const int* index, rvec xcm);
/* Increment all atoms in index with xcm */
#endif