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This PR fixes buildKKRMatrix_HIP on AMD GPUs. Fixed a couple minor computation bugs. Simulation now passes when COMPARE_ORIGINAL is set. Additionally, end of simulation energy value matches with the CPU version up to 9-10 decimal places. Also modifying the comparison framework to use a tolerance value when comparing floats.

… the comparison framework to match cpu and cuda versions
@meisenbach meisenbach merged commit ac85f45 into mstsuite:master Mar 25, 2025
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