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Pull requests: libAtoms/pymatnext
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Save global ind of each sample in NS_samples file and in traj file
#30
by bernstei
was merged Dec 11, 2025
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Fix bug in step size tuning having to do with order of attempt/successs counts
#25
by bernstei
was merged Jun 20, 2025
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make sure all configs written in snapshot have same, latest, step size
#23
by bernstei
was merged Jun 16, 2025
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Deal with lmp.numpy.extract_atoms('f') returning an array larger than nlocal
#22
by bernstei
was merged Jun 12, 2025
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Fix bug where non-root processes overwrote snapshot rng state file
#19
by bernstei
was merged Jul 27, 2023
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Change the way analysis code detects problems with sampling
#14
by bernstei
was merged Jul 12, 2023
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optionally save history of cloning events, for analysis
#12
by bernstei
was merged May 5, 2023
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Make it possible to start NS run from a file containing initial configs
#11
by bernstei
was merged Apr 24, 2023
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Fix normalization of weights for Helmholtz free energy calculation
#9
by bernstei
was merged Jul 12, 2023
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Updated in the last three days: updated:>2025-12-10.