- Jan 30, 2019
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PabloPiaggi authored
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PabloPiaggi authored
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Axel Kohlmeyer authored
Fix in extract() method of pair_thole
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- Jan 29, 2019
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Agilio Padua authored
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- Jan 25, 2019
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Axel Kohlmeyer authored
ENH: Output computes/fixes of with arbitrary number of columns to NetCDF
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- Jan 24, 2019
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Axel Kohlmeyer authored
Fix mistake in mixing rules for mm3/switch3
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Steven Vandenbrande authored
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Axel Kohlmeyer authored
Add USER-YAFF package for MOF simulations with QuickFF
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Axel Kohlmeyer authored
Bond/react: add reaction constraints support
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Axel Kohlmeyer authored
USER-CGDNA PDF docs update
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Axel Kohlmeyer authored
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- Jan 23, 2019
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Lars Pastewka authored
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jrgissing authored
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jrgissing authored
introduce a distance constraint between any two reaction-site atoms, in order for reaction to occur
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- Jan 22, 2019
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Steven Vandenbrande authored
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Oliver Henrich authored
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Oliver Henrich authored
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Steven Vandenbrande authored
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Steven Vandenbrande authored
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Jacob Gissinger authored
rebase
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- Jan 21, 2019
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Lars Pastewka authored
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- Jan 18, 2019
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Axel Kohlmeyer authored
Optimize Kokkos SNAP energy calculation
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Stan Moore authored
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Axel Kohlmeyer authored
Fix bug in virial calculation for impropers fourier and umbrella
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Axel Kohlmeyer authored
bond/react: strict reaction limit and serial compilation bugfix
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jrgissing authored
also, fixes a bug in the 'serial' build introduced in #1099, wherein no reactions could occur in some cases
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- Jan 15, 2019
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Steven Vandenbrande authored
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- Jan 13, 2019
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Axel Kohlmeyer authored
Bond/react: limit number of reactions, bugfixes
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jrgissing authored
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Jacob Gissinger authored
rebase
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- Jan 10, 2019
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Axel Kohlmeyer authored
Bond/react: memory correction
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jrgissing authored
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Jacob Gissinger authored
rebase
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- Jan 07, 2019
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Stan Moore authored
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Axel Kohlmeyer authored
Fix memory issue in Kokkos Reax
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Stan Moore authored
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