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qbox-public
Commits
72e55a8c
Commit
72e55a8c
authored
Nov 16, 2017
by
Francois Gygi
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Fix force normalization in PairExtForce::energy
parent
000b3db0
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PairExtForce.C
src/PairExtForce.C
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src/PairExtForce.C
View file @
72e55a8c
...
...
@@ -50,7 +50,7 @@ double PairExtForce::energy(const vector<vector<double> > &r,
D3vector
r1
(
pr1
);
D3vector
r2
(
pr2
);
D3vector
e12
(
r2
-
r1
);
D3vector
e12
=
normalized
(
r2
-
r1
);
f
[
is1_
][
3
*
ia1_
+
0
]
+=
force_
*
e12
.
x
;
f
[
is1_
][
3
*
ia1_
+
1
]
+=
force_
*
e12
.
y
;
f
[
is1_
][
3
*
ia1_
+
2
]
+=
force_
*
e12
.
z
;
...
...
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