{
class MDLogger;
class PhysicalNodeCommunicator;
-}
+} // namespace gmx
//! Destroy a forcerec.
-void done_forcerec(t_forcerec *fr, int numMolBlocks);
+void done_forcerec(t_forcerec* fr, int numMolBlocks);
/*! \brief Print the contents of the forcerec to a file
*
* \param[in] fplog The log file to print to
* \param[in] fr The forcerec structure
*/
-void pr_forcerec(FILE *fplog, t_forcerec *fr);
+void pr_forcerec(FILE* fplog, t_forcerec* fr);
/*! \brief Set the number of charge groups and atoms.
*
* \param[in] natoms_f_novirsum Number of atoms for which
* force is to be compute but no virial
*/
-void
-forcerec_set_ranges(t_forcerec *fr,
- int natoms_force,
- int natoms_force_constr, int natoms_f_novirsum);
+void forcerec_set_ranges(t_forcerec* fr, int natoms_force, int natoms_force_constr, int natoms_f_novirsum);
/*! \brief Initiate table constants
*
* \param[in] fp File for debugging output
* \param[in] ic Structure holding the table constant
*/
-void init_interaction_const_tables(FILE *fp,
- interaction_const_t *ic);
+void init_interaction_const_tables(FILE* fp, interaction_const_t* ic);
/*! \brief Initialize forcerec structure.
*
* \param[in] print_force Print forces for atoms with force >= print_force
* \param[out] wcycle Pointer to cycle counter object
*/
-void init_forcerec(FILE *fplog,
- const gmx::MDLogger &mdlog,
- t_forcerec *fr,
- t_fcdata *fcd,
- const t_inputrec *ir,
- const gmx_mtop_t *mtop,
- const t_commrec *cr,
- matrix box,
- const char *tabfn,
- const char *tabpfn,
- gmx::ArrayRef<const std::string> tabbfnm,
- const gmx_hw_info_t &hardwareInfo,
- const gmx_device_info_t *deviceInfo,
- bool useGpuForBonded,
- bool pmeOnlyRankUsesGpu,
- real print_force,
- gmx_wallcycle *wcycle);
+void init_forcerec(FILE* fplog,
+ const gmx::MDLogger& mdlog,
+ t_forcerec* fr,
+ t_fcdata* fcd,
+ const t_inputrec* ir,
+ const gmx_mtop_t* mtop,
+ const t_commrec* cr,
+ matrix box,
+ const char* tabfn,
+ const char* tabpfn,
+ gmx::ArrayRef<const std::string> tabbfnm,
+ const gmx_hw_info_t& hardwareInfo,
+ const gmx_device_info_t* deviceInfo,
+ bool useGpuForBonded,
+ bool pmeOnlyRankUsesGpu,
+ real print_force,
+ gmx_wallcycle* wcycle);
/*! \brief Divide exclusions over threads
*
* \param[out] fr The force record
* \param[in] top The topology
*/
-void forcerec_set_excl_load(t_forcerec *fr,
- const gmx_localtop_t *top);
+void forcerec_set_excl_load(t_forcerec* fr, const gmx_localtop_t* top);
-void free_gpu_resources(t_forcerec *fr,
- const gmx::PhysicalNodeCommunicator &physicalNodeCommunicator,
- const gmx_gpu_info_t &gpu_info);
+void free_gpu_resources(t_forcerec* fr,
+ const gmx::PhysicalNodeCommunicator& physicalNodeCommunicator,
+ const gmx_gpu_info_t& gpu_info);
#endif