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tsoc
openmm
Commits
fb830f9d
Unverified
Commit
fb830f9d
authored
May 29, 2020
by
peastman
Committed by
GitHub
May 29, 2020
Browse files
Merge pull request #2694 from thtrummer/master
Fix invalid call to __host__ function in computeBondedForces
parents
f652673c
2feabb15
Changes
2
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2 changed files
with
6 additions
and
6 deletions
+6
-6
platforms/common/src/kernels/cmapTorsionForce.cc
platforms/common/src/kernels/cmapTorsionForce.cc
+2
-2
platforms/common/src/kernels/customIntegratorPerDof.cc
platforms/common/src/kernels/customIntegratorPerDof.cc
+4
-4
No files found.
platforms/common/src/kernels/cmapTorsionForce.cc
View file @
fb830f9d
...
...
@@ -61,8 +61,8 @@ angleB = fmod(angleB+2.0f*PI, 2.0f*PI);
int2
pos
=
MAP_POS
[
MAPS
[
index
]];
int
size
=
pos
.
y
;
real
delta
=
2
*
PI
/
size
;
int
s
=
(
int
)
fmin
(
angleA
/
delta
,
size
-
1
);
int
t
=
(
int
)
fmin
(
angleB
/
delta
,
size
-
1
);
int
s
=
(
int
)
fmin
(
angleA
/
delta
,
(
real
)
(
size
-
1
)
)
;
int
t
=
(
int
)
fmin
(
angleB
/
delta
,
(
real
)
(
size
-
1
)
)
;
float4
c
[
4
];
int
coeffIndex
=
pos
.
x
+
4
*
(
s
+
size
*
t
);
c
[
0
]
=
COEFF
[
coeffIndex
];
...
...
platforms/common/src/kernels/customIntegratorPerDof.cc
View file @
fb830f9d
...
...
@@ -3,8 +3,8 @@ typedef double TempType;
typedef
double3
TempType3
;
typedef
double4
TempType4
;
#define make_TempType3
(...)
make_double3
(__VA_ARGS__)
#define make_TempType4
(...)
make_double4
(__VA_ARGS__)
#define make_TempType3 make_double3
#define make_TempType4 make_double4
#define convertToTempType3(a) make_double3((a).x, (a).y, (a).z)
#define convertToTempType4(a) make_double4((a).x, (a).y, (a).z, (a).w)
...
...
@@ -16,8 +16,8 @@ typedef float TempType;
typedef
float3
TempType3
;
typedef
float4
TempType4
;
#define make_TempType3
(...)
make_float3
(__VA_ARGS__)
#define make_TempType4
(...)
make_float4
(__VA_ARGS__)
#define make_TempType3 make_float3
#define make_TempType4 make_float4
#define convertToTempType3(a) make_float3((a).x, (a).y, (a).z)
#define convertToTempType4(a) make_float4((a).x, (a).y, (a).z, (a).w)
#endif
...
...
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