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tsoc
openmm
Commits
a4d0fec5
Commit
a4d0fec5
authored
Feb 28, 2011
by
Mark Friedrichs
Browse files
Remove reference to stderr
parent
dc4d96fa
Changes
2
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2 changed files
with
17 additions
and
15 deletions
+17
-15
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
...ence/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
+16
-14
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.h
...erence/src/SimTKReference/AmoebaReferenceMultipoleForce.h
+1
-1
No files found.
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.cpp
View file @
a4d0fec5
...
@@ -30,7 +30,7 @@
...
@@ -30,7 +30,7 @@
using
std
::
vector
;
using
std
::
vector
;
using
OpenMM
::
RealVec
;
using
OpenMM
::
RealVec
;
#define AMOEBA_DEBUG
//
#define AMOEBA_DEBUG
AmoebaReferenceMultipoleForce
::
AmoebaReferenceMultipoleForce
(
)
:
_nonbondedMethod
(
NoCutoff
)
{
AmoebaReferenceMultipoleForce
::
AmoebaReferenceMultipoleForce
(
)
:
_nonbondedMethod
(
NoCutoff
)
{
initialize
();
initialize
();
...
@@ -166,6 +166,7 @@ void AmoebaReferenceMultipoleForce::loadArrayFromVector( unsigned int particleI,
...
@@ -166,6 +166,7 @@ void AmoebaReferenceMultipoleForce::loadArrayFromVector( unsigned int particleI,
void
AmoebaReferenceMultipoleForce
::
logRealOpenMMVectors
(
const
std
::
string
&
header
,
const
VectorOfRealOpenMMVectors
&
printVector
,
void
AmoebaReferenceMultipoleForce
::
logRealOpenMMVectors
(
const
std
::
string
&
header
,
const
VectorOfRealOpenMMVectors
&
printVector
,
FILE
*
log
,
unsigned
int
itemsPerVector
,
int
maxPrint
)
const
{
FILE
*
log
,
unsigned
int
itemsPerVector
,
int
maxPrint
)
const
{
if
(
log
){
(
void
)
fprintf
(
log
,
"%s"
,
header
.
c_str
()
);
(
void
)
fprintf
(
log
,
"%s"
,
header
.
c_str
()
);
for
(
unsigned
int
ii
=
0
;
ii
<
printVector
[
0
].
size
()
/
itemsPerVector
;
ii
++
){
for
(
unsigned
int
ii
=
0
;
ii
<
printVector
[
0
].
size
()
/
itemsPerVector
;
ii
++
){
(
void
)
fprintf
(
log
,
"%5u "
,
ii
);
(
void
)
fprintf
(
log
,
"%5u "
,
ii
);
...
@@ -182,6 +183,7 @@ void AmoebaReferenceMultipoleForce::logRealOpenMMVectors( const std::string& hea
...
@@ -182,6 +183,7 @@ void AmoebaReferenceMultipoleForce::logRealOpenMMVectors( const std::string& hea
}
}
(
void
)
fprintf
(
log
,
"
\n
"
);
(
void
)
fprintf
(
log
,
"
\n
"
);
}
}
}
}
}
void
AmoebaReferenceMultipoleForce
::
logParticleData
(
const
std
::
string
&
header
,
const
std
::
vector
<
MultipoleParticleData
>&
particleData
,
void
AmoebaReferenceMultipoleForce
::
logParticleData
(
const
std
::
string
&
header
,
const
std
::
vector
<
MultipoleParticleData
>&
particleData
,
...
...
plugins/amoeba/platforms/reference/src/SimTKReference/AmoebaReferenceMultipoleForce.h
View file @
a4d0fec5
...
@@ -360,7 +360,7 @@ private:
...
@@ -360,7 +360,7 @@ private:
void
addField
(
unsigned
int
particleIOffset
,
int
sign
,
RealOpenMM
field
[
3
],
std
::
vector
<
RealOpenMM
>&
vectorToAddTo
)
const
;
void
addField
(
unsigned
int
particleIOffset
,
int
sign
,
RealOpenMM
field
[
3
],
std
::
vector
<
RealOpenMM
>&
vectorToAddTo
)
const
;
void
logRealOpenMMVectors
(
const
std
::
string
&
header
,
const
VectorOfRealOpenMMVectors
&
printVector
,
void
logRealOpenMMVectors
(
const
std
::
string
&
header
,
const
VectorOfRealOpenMMVectors
&
printVector
,
FILE
*
log
=
stderr
,
unsigned
int
itemsPerVector
=
1
,
int
maxPrint
=
-
1
)
const
;
FILE
*
log
=
NULL
,
unsigned
int
itemsPerVector
=
1
,
int
maxPrint
=
-
1
)
const
;
void
logParticleData
(
const
std
::
string
&
header
,
const
std
::
vector
<
MultipoleParticleData
>&
particleData
,
void
logParticleData
(
const
std
::
string
&
header
,
const
std
::
vector
<
MultipoleParticleData
>&
particleData
,
unsigned
int
printFlag
,
FILE
*
log
,
unsigned
int
maxPrint
)
const
;
unsigned
int
printFlag
,
FILE
*
log
,
unsigned
int
maxPrint
)
const
;
...
...
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