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docking
ocladock
Commits
e5c5b74d
Commit
e5c5b74d
authored
Sep 06, 2018
by
lvs
Browse files
corrected code when enabling DEBUG_ENERGY_KERNEL
parent
3df97cfe
Changes
1
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Inline
Side-by-side
device/calcenergy.cl
View file @
e5c5b74d
...
...
@@ -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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