*
* Calculate correction for electrostatic surface dipole terms.
*/
-void
-ewald_LRcorrection(int numAtomsLocal,
- const t_commrec *cr,
- int numThreads, int thread,
- const t_forcerec &fr,
- const t_inputrec &ir,
- const real *chargeA, const real *chargeB,
- gmx_bool bHaveChargePerturbed,
- const rvec x[],
- const matrix box,
- const rvec mu_tot[],
- rvec *f,
- real *Vcorr_q,
- real lambda_q,
- real *dvdlambda_q);
+void ewald_LRcorrection(int numAtomsLocal,
+ const t_commrec* cr,
+ int numThreads,
+ int thread,
+ const t_forcerec& fr,
+ const t_inputrec& ir,
+ const real* chargeA,
+ const real* chargeB,
+ gmx_bool bHaveChargePerturbed,
+ const rvec x[],
+ const matrix box,
+ const rvec mu_tot[],
+ rvec* f,
+ real* Vcorr_q,
+ real lambda_q,
+ real* dvdlambda_q);
#endif