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tsoc
openmm
Commits
c0850062
"vscode:/vscode.git/clone" did not exist on "95a4bb696a2388f34d50c6873ff93911d6b235de"
Commit
c0850062
authored
Feb 21, 2017
by
Andy Simmonett
Browse files
More test changes, to appease appveyor.
parent
551c5b03
Changes
1
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3 deletions
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-3
tests/TestDispersionPME.h
tests/TestDispersionPME.h
+4
-3
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tests/TestDispersionPME.h
View file @
c0850062
...
@@ -43,6 +43,7 @@
...
@@ -43,6 +43,7 @@
#include "sfmt/SFMT.h"
#include "sfmt/SFMT.h"
#include <iostream>
#include <iostream>
#include <vector>
#include <vector>
#include <algorithm>
using
namespace
OpenMM
;
using
namespace
OpenMM
;
using
namespace
std
;
using
namespace
std
;
...
@@ -68,7 +69,7 @@ void testConvergence() {
...
@@ -68,7 +69,7 @@ void testConvergence() {
double
minDist
=
boxWidth
;
double
minDist
=
boxWidth
;
for
(
int
j
=
0
;
j
<
i
;
j
++
)
{
for
(
int
j
=
0
;
j
<
i
;
j
++
)
{
Vec3
delta
=
pos
-
positions
[
j
];
Vec3
delta
=
pos
-
positions
[
j
];
minDist
=
min
(
minDist
,
sqrt
(
delta
.
dot
(
delta
)));
minDist
=
std
::
min
(
minDist
,
sqrt
(
delta
.
dot
(
delta
)));
}
}
if
(
minDist
>
0.15
)
{
if
(
minDist
>
0.15
)
{
positions
[
i
]
=
pos
;
positions
[
i
]
=
pos
;
...
@@ -120,7 +121,7 @@ void testErrorTolerance() {
...
@@ -120,7 +121,7 @@ void testErrorTolerance() {
double
minDist
=
boxWidth
;
double
minDist
=
boxWidth
;
for
(
int
j
=
0
;
j
<
i
;
j
++
)
{
for
(
int
j
=
0
;
j
<
i
;
j
++
)
{
Vec3
delta
=
pos
-
positions
[
j
];
Vec3
delta
=
pos
-
positions
[
j
];
minDist
=
min
(
minDist
,
sqrt
(
delta
.
dot
(
delta
)));
minDist
=
std
::
min
(
minDist
,
sqrt
(
delta
.
dot
(
delta
)));
}
}
if
(
minDist
>
0.1
)
{
if
(
minDist
>
0.1
)
{
positions
[
i
]
=
pos
;
positions
[
i
]
=
pos
;
...
@@ -251,7 +252,7 @@ void testCoulombAndLJ() {
...
@@ -251,7 +252,7 @@ void testCoulombAndLJ() {
double
minDist
=
boxWidth
;
double
minDist
=
boxWidth
;
for
(
int
j
=
0
;
j
<
i
;
j
++
)
{
for
(
int
j
=
0
;
j
<
i
;
j
++
)
{
Vec3
delta
=
pos
-
positions
[
j
];
Vec3
delta
=
pos
-
positions
[
j
];
minDist
=
min
(
minDist
,
sqrt
(
delta
.
dot
(
delta
)));
minDist
=
std
::
min
(
minDist
,
sqrt
(
delta
.
dot
(
delta
)));
}
}
if
(
minDist
>
0.1
)
{
if
(
minDist
>
0.1
)
{
positions
[
i
]
=
pos
;
positions
[
i
]
=
pos
;
...
...
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