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tsoc
openmm
Commits
1c2c661b
Commit
1c2c661b
authored
Nov 17, 2011
by
Mark Friedrichs
Browse files
Edit to remove Windows warnings
parent
018603a0
Changes
2
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Showing
2 changed files
with
4 additions
and
4 deletions
+4
-4
platforms/reference/src/gbsa/CpuGBVI.cpp
platforms/reference/src/gbsa/CpuGBVI.cpp
+2
-2
platforms/reference/src/gbsa/CpuObc.cpp
platforms/reference/src/gbsa/CpuObc.cpp
+2
-2
No files found.
platforms/reference/src/gbsa/CpuGBVI.cpp
View file @
1c2c661b
...
...
@@ -783,7 +783,7 @@ void CpuGBVI::printGbvi( const std::vector<OpenMM::RealVec>& atomCoordinates, co
if
(
useComparisonFormat
){
(
void
)
fprintf
(
log
,
" br bF swd r scR tau*gamma q)
\n
"
);
for
(
int
atomI
=
0
;
atomI
<
numberOfAtoms
;
atomI
++
){
for
(
unsigned
int
atomI
=
0
;
atomI
<
static_cast
<
unsigned
int
>
(
numberOfAtoms
)
;
atomI
++
){
(
void
)
fprintf
(
log
,
"%6d "
,
atomI
);
if
(
bornRadii
.
size
()
>
atomI
){
(
void
)
fprintf
(
log
,
"%15.7e "
,
bornRadii
[
atomI
]
);
...
...
@@ -800,7 +800,7 @@ void CpuGBVI::printGbvi( const std::vector<OpenMM::RealVec>& atomCoordinates, co
(
void
)
fprintf
(
log
,
"
\n
"
);
}
}
else
{
for
(
int
atomI
=
0
;
atomI
<
numberOfAtoms
;
atomI
++
){
for
(
unsigned
int
atomI
=
0
;
atomI
<
static_cast
<
unsigned
int
>
(
numberOfAtoms
)
;
atomI
++
){
(
void
)
fprintf
(
log
,
"%6d r=%15.7e rSc=%15.7e swd=%15.7e tau*gam=%15.7e q=%15.7e"
,
atomI
,
atomicRadii
[
atomI
],
scaledRadii
[
atomI
],
...
...
platforms/reference/src/gbsa/CpuObc.cpp
View file @
1c2c661b
...
...
@@ -541,7 +541,7 @@ void CpuObc::printObc( const std::vector<OpenMM::RealVec>& atomCoordinates,
(
void
)
fprintf
(
log
,
"Reference Obc %s atoms=%d
\n
"
,
idString
.
c_str
(),
numberOfAtoms
);
if
(
comparisonFormat
){
(
void
)
fprintf
(
log
,
"Reference Obc %s atoms=%d Chain/Radii/Force
\n
"
,
idString
.
c_str
(),
numberOfAtoms
);
for
(
int
atomI
=
0
;
atomI
<
numberOfAtoms
;
atomI
++
){
for
(
unsigned
int
atomI
=
0
;
atomI
<
static_cast
<
unsigned
int
>
(
numberOfAtoms
)
;
atomI
++
){
(
void
)
fprintf
(
log
,
"%6d "
,
atomI
);
if
(
obcChain
.
size
()
>
atomI
){
(
void
)
fprintf
(
log
,
" %15.7e"
,
obcChain
[
atomI
]
);
...
...
@@ -562,7 +562,7 @@ void CpuObc::printObc( const std::vector<OpenMM::RealVec>& atomCoordinates,
(
void
)
fprintf
(
log
,
" beta %15.7e
\n
"
,
betaObc
);
(
void
)
fprintf
(
log
,
" gamma %15.7e
\n
"
,
gammaObc
);
for
(
int
atomI
=
0
;
atomI
<
numberOfAtoms
;
atomI
++
){
for
(
unsigned
int
atomI
=
0
;
atomI
<
static_cast
<
unsigned
int
>
(
numberOfAtoms
)
;
atomI
++
){
(
void
)
fprintf
(
log
,
"%6d r=%15.7e q=%6.3f"
,
atomI
,
atomicRadii
[
atomI
],
partialCharges
[
atomI
]
);
if
(
obcChain
.
size
()
>
atomI
){
...
...
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