Commit e5c5b74d authored by lvs's avatar lvs

corrected code when enabling DEBUG_ENERGY_KERNEL

parent 3df97cfe
......@@ -577,7 +577,7 @@ if (get_local_id (0) == 0) {
#if defined (DEBUG_ENERGY_KERNEL)
partial_intraE[get_local_id(0)] += native_divide (
dockpars_coeff_elec * kerconst_interintra->kerconst_interintra->atom_charges_const[atom1_id] * kerconst_interintra->atom_charges_const[atom2_id],
dockpars_coeff_elec * kerconst_interintra->atom_charges_const[atom1_id] * kerconst_interintra->atom_charges_const[atom2_id],
atomic_distance * (DIEL_A + native_divide(DIEL_B,(1.0f + DIEL_K*native_exp(-DIEL_B_TIMES_H*atomic_distance))))
);
#endif
......
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