* - gmx_calc_com(): Calculates the center of mass (COM) of a given group
* of atoms.
* - gmx_calc_comg(): Calculates either the COM or COG, based on a
- * boolean flag.
+ * gmx_boolean flag.
*
* A second set of routines is provided for calculating the centers for groups
* that wrap over periodic boundaries (gmx_calc_cog_pbc(), gmx_calc_com_pbc(),
/** Calculate a single center of mass/geometry. */
int
gmx_calc_comg(t_topology *top, rvec x[], int nrefat, atom_id index[],
- bool bMass, rvec xout);
+ gmx_bool bMass, rvec xout);
/** Calculate force on a single center of mass/geometry. */
int
gmx_calc_comg_f(t_topology *top, rvec f[], int nrefat, atom_id index[],
- bool bMass, rvec fout);
+ gmx_bool bMass, rvec fout);
/** Calculate a single center of geometry iteratively, taking PBC into account. */
int
/** Calculate a single center of mass/geometry iteratively with PBC. */
int
gmx_calc_comg_pbc(t_topology *top, rvec x[], t_pbc *pbc,
- int nrefat, atom_id index[], bool bMass, rvec xout);
+ int nrefat, atom_id index[], gmx_bool bMass, rvec xout);
/** Calculate centers of geometry for a blocked index. */
int
/** Calculate centers of mass/geometry for a blocked index. */
int
gmx_calc_comg_block(t_topology *top, rvec x[], t_block *block,
- atom_id index[], bool bMass, rvec xout[]);
+ atom_id index[], gmx_bool bMass, rvec xout[]);
/** Calculate forces on centers of mass/geometry for a blocked index. */
int
gmx_calc_comg_f_block(t_topology *top, rvec f[], t_block *block,
- atom_id index[], bool bMass, rvec fout[]);
+ atom_id index[], gmx_bool bMass, rvec fout[]);
/** Calculate centers of mass/geometry for a set of blocks; */
int
gmx_calc_comg_blocka(t_topology *top, rvec x[], t_blocka *block,
- bool bMass, rvec xout[]);
+ gmx_bool bMass, rvec xout[]);
/** Calculate forces on centers of mass/geometry for a set of blocks; */
int
gmx_calc_comg_f_blocka(t_topology *top, rvec x[], t_blocka *block,
- bool bMass, rvec xout[]);
+ gmx_bool bMass, rvec xout[]);
#ifdef __cplusplus
}