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tsoc
openmm
Commits
e6dbc496
Commit
e6dbc496
authored
Feb 07, 2015
by
Jason Swails
Browse files
Oops, forgot to distribute the negative
parent
104e827e
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plugins/amoeba/platforms/cuda/src/kernels/amoebaStretchBendForce.cu
...oeba/platforms/cuda/src/kernels/amoebaStretchBendForce.cu
+2
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plugins/amoeba/platforms/cuda/src/kernels/amoebaStretchBendForce.cu
View file @
e6dbc496
...
...
@@ -64,6 +64,6 @@ real ddrdzic = termc * zcb;
energy
+=
dt
*
drkk
;
real3
force1
=
make_real3
(
-
frc1
*
dt
*
ddrdxia
+
ddtdxia
*
drkk
,
-
frc1
*
dt
*
ddrdyia
+
ddtdyia
*
drkk
,
-
frc1
*
dt
*
ddrdzia
+
ddtdzia
*
drkk
);
real3
force3
=
make_real3
(
-
frc2
*
dt
*
ddrdxic
+
ddtdxic
*
drkk
,
-
frc2
*
dt
*
ddrdyic
+
ddtdyic
*
drkk
,
-
frc2
*
dt
*
ddrdzic
+
ddtdzic
*
drkk
);
real3
force1
=
make_real3
(
-
frc1
*
dt
*
ddrdxia
-
ddtdxia
*
drkk
,
-
frc1
*
dt
*
ddrdyia
-
ddtdyia
*
drkk
,
-
frc1
*
dt
*
ddrdzia
-
ddtdzia
*
drkk
);
real3
force3
=
make_real3
(
-
frc2
*
dt
*
ddrdxic
-
ddtdxic
*
drkk
,
-
frc2
*
dt
*
ddrdyic
-
ddtdyic
*
drkk
,
-
frc2
*
dt
*
ddrdzic
-
ddtdzic
*
drkk
);
real3
force2
=
make_real3
(
-
force1
.
x
-
force3
.
x
,
-
force1
.
y
-
force3
.
y
,
-
force1
.
z
-
force3
.
z
);
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