Commit 34bd3ee9 authored by Peter Eastman's avatar Peter Eastman
Browse files

Fixed bug applying constraints for CustomIntegrator

parent cf7a8bcb
...@@ -15,7 +15,7 @@ __kernel void computeSum(__global const float* restrict sumBuffer, __global floa ...@@ -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) { __kernel void applyPositionDeltas(__global float4* restrict posq, __global float4* restrict posDelta) {
for (unsigned int index = get_local_id(0); index < NUM_ATOMS; index += get_global_size(0)) { for (unsigned int index = get_global_id(0); index < NUM_ATOMS; index += get_global_size(0)) {
float4 position = posq[index]; float4 position = posq[index];
position.xyz += posDelta[index].xyz; position.xyz += posDelta[index].xyz;
posq[index] = position; posq[index] = position;
......
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