/*! \brief Pair-interaction kernel type that also calculates energies.
*/
-typedef void (nbk_func_ener)(const NbnxnPairlistCpu *nbl,
- const nbnxn_atomdata_t *nbat,
- const interaction_const_t *ic,
- const rvec *shift_vec,
- nbnxn_atomdata_output_t *out);
+typedef void(nbk_func_ener)(const NbnxnPairlistCpu* nbl,
+ const nbnxn_atomdata_t* nbat,
+ const interaction_const_t* ic,
+ const rvec* shift_vec,
+ nbnxn_atomdata_output_t* out);
/*! \brief Pointer to \p nbk_func_ener.
*/
-typedef nbk_func_ener *p_nbk_func_ener;
+typedef nbk_func_ener* p_nbk_func_ener;
/*! \brief Pair-interaction kernel type that does not calculates energies.
*/
-typedef void (nbk_func_noener)(const NbnxnPairlistCpu *nbl,
- const nbnxn_atomdata_t *nbat,
- const interaction_const_t *ic,
- const rvec *shift_vec,
- nbnxn_atomdata_output_t *out);
+typedef void(nbk_func_noener)(const NbnxnPairlistCpu* nbl,
+ const nbnxn_atomdata_t* nbat,
+ const interaction_const_t* ic,
+ const rvec* shift_vec,
+ nbnxn_atomdata_output_t* out);
/*! \brief Pointer to \p nbk_func_noener.
*/
-typedef nbk_func_noener *p_nbk_func_noener;
+typedef nbk_func_noener* p_nbk_func_noener;
/*! \brief Kinds of electrostatic treatments in SIMD Verlet kernels
*/
-enum {
- coulktRF, coulktTAB, coulktTAB_TWIN, coulktEWALD, coulktEWALD_TWIN, coulktNR
+enum
+{
+ coulktRF,
+ coulktTAB,
+ coulktTAB_TWIN,
+ coulktEWALD,
+ coulktEWALD_TWIN,
+ coulktNR
};
/*! \brief Kinds of Van der Waals treatments in SIMD Verlet kernels
* These two numbers differ, because currently only the reference kernels
* support LB combination rules for the LJ-Ewald grid part.
*/
-enum {
- vdwktLJCUT_COMBGEOM, vdwktLJCUT_COMBLB, vdwktLJCUT_COMBNONE, vdwktLJFORCESWITCH, vdwktLJPOTSWITCH, vdwktLJEWALDCOMBGEOM, vdwktLJEWALDCOMBLB, vdwktNR = vdwktLJEWALDCOMBLB, vdwktNR_ref
+enum
+{
+ vdwktLJCUT_COMBGEOM,
+ vdwktLJCUT_COMBLB,
+ vdwktLJCUT_COMBNONE,
+ vdwktLJFORCESWITCH,
+ vdwktLJPOTSWITCH,
+ vdwktLJEWALDCOMBGEOM,
+ vdwktLJEWALDCOMBLB,
+ vdwktNR = vdwktLJEWALDCOMBLB,
+ vdwktNR_ref
};
/*! \brief Clears the force buffer.
* \param[in,out] nbat The Nbnxm atom data
* \param[in] outputIndex The index of the output object to clear
*/
-void
-clearForceBuffer(nbnxn_atomdata_t *nbat,
- int outputIndex);
+void clearForceBuffer(nbnxn_atomdata_t* nbat, int outputIndex);
/*! \brief Clears the shift forces.
*/
-void
-clear_fshift(real *fshift);
+void clear_fshift(real* fshift);
/*! \brief Reduces the collected energy terms over the pair-lists/threads.
*/
-void
-reduce_energies_over_lists(const nbnxn_atomdata_t *nbat,
- int nlist,
- real *Vvdw,
- real *Vc);
+void reduce_energies_over_lists(const nbnxn_atomdata_t* nbat, int nlist, real* Vvdw, real* Vc);
#endif