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tsoc
openmm
Commits
34bd3ee9
Commit
34bd3ee9
authored
Feb 10, 2012
by
Peter Eastman
Browse files
Fixed bug applying constraints for CustomIntegrator
parent
cf7a8bcb
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platforms/opencl/src/kernels/customIntegrator.cl
platforms/opencl/src/kernels/customIntegrator.cl
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platforms/opencl/src/kernels/customIntegrator.cl
View file @
34bd3ee9
...
...
@@ -15,7 +15,7 @@ __kernel void computeSum(__global const float* restrict sumBuffer, __global floa
}
__kernel
void
applyPositionDeltas
(
__global
float4*
restrict
posq,
__global
float4*
restrict
posDelta
)
{
for
(
unsigned
int
index
=
get_lo
c
al_id
(
0
)
; index < NUM_ATOMS; index += get_global_size(0)) {
for
(
unsigned
int
index
=
get_
g
lo
b
al_id
(
0
)
; index < NUM_ATOMS; index += get_global_size(0)) {
float4
position
=
posq[index]
;
position.xyz
+=
posDelta[index].xyz
;
posq[index]
=
position
;
...
...
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