tune cutoff padding

33ae1570 · one · 16f10eff · 33ae1570
Commit 33ae1570 authored Apr 10, 2026 by one
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platforms/hip/src/HipNonbondedUtilities.cpp platforms/hip/src/HipNonbondedUtilities.cpp +1 -1

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--- a/platforms/hip/src/HipNonbondedUtilities.cpp
+++ b/platforms/hip/src/HipNonbondedUtilities.cpp
@@ -399,7 +399,7 @@ double HipNonbondedUtilities::getMaxCutoffDistance() {
 }

 double HipNonbondedUtilities::padCutoff(double cutoff) {
-    double padding = (usePadding ? 0.08*cutoff : 0.0);
+    double padding = (usePadding ? 0.12*cutoff : 0.0);
    return cutoff+padding;
 }