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Merge Development Updates into MEMC_Liq #538

Merged
merged 23 commits into from
Jan 27, 2025
Merged

Merge Development Updates into MEMC_Liq #538

merged 23 commits into from
Jan 27, 2025

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jpotoff
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@jpotoff jpotoff commented Jan 27, 2025

Merges updates from development from 5/2024 to 1/2025 into MEMC_Liq branch

LSchwiebert and others added 23 commits May 14, 2024 10:14
Detect and remove duplicate dihedrals with the same periodicity
Correct log entry for Intra-MEMC1 move
Optimize operator overloading for XYZ objects
Forcefield params do not match between CPU and GPU
Fix calls to Mersenne Twister for CBMC functions
…as infinite energy, such as two atoms with identical coordinates
Recognize newer OpenMP version date codes
Terminate GOMC (with an error message) if the initial configuration has infinite energy
@jpotoff jpotoff merged commit 24a694b into MEMC_Liq Jan 27, 2025
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3 participants