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tsoc
openmm
Commits
ec09c1e4
Commit
ec09c1e4
authored
Jun 17, 2009
by
Michael Sherman
Browse files
small improvement from workshop dry run
parent
a9947670
Changes
2
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2 deletions
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-2
examples/HelloArgon.cpp
examples/HelloArgon.cpp
+1
-1
examples/HelloArgonInC.c
examples/HelloArgonInC.c
+1
-1
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examples/HelloArgon.cpp
View file @
ec09c1e4
...
...
@@ -38,7 +38,7 @@ void simulateArgon()
std
::
vector
<
OpenMM
::
Vec3
>
initPosInNm
(
3
);
for
(
int
a
=
0
;
a
<
3
;
++
a
)
{
initPosInNm
[
a
]
=
OpenMM
::
Vec3
(
a
/
2.
,
0
,
0
);
// location, nm
initPosInNm
[
a
]
=
OpenMM
::
Vec3
(
0.5
*
a
,
0
,
0
);
// location, nm
system
.
addParticle
(
39.95
);
// mass of Ar, grams per mole
...
...
examples/HelloArgonInC.c
View file @
ec09c1e4
...
...
@@ -41,7 +41,7 @@ void simulateArgon()
initPosInNm
=
OpenMM_Vec3Array_create
(
3
);
for
(
a
=
0
;
a
<
3
;
++
a
)
{
const
double
posNm
[
3
]
=
{
a
/
2
.
,
0
,
0
};
/*location, nm*/
const
double
posNm
[
3
]
=
{
0
.
5
*
a
,
0
,
0
};
/*location, nm*/
OpenMM_Vec3Array_set
(
initPosInNm
,
a
,
posNm
);
OpenMM_System_addParticle
(
system
,
39
.
95
);
/*mass of Ar, grams/mole*/
...
...
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