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Pull requests: MolarVerse/PQAnalysis
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fix: validate box lengths and angles on Cell construction
#215
opened Aug 24, 2026 by
galjos
Member
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fix: resolve abbreviated root options in lazy CLI dispatch
#213
opened Aug 24, 2026 by
galjos
Member
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fix: read the log file env var when checking for the off value
#211
opened Aug 24, 2026 by
galjos
Member
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fix: register -n and --n-molecules as separate option strings
#207
opened Aug 24, 2026 by
galjos
Member
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fix: parse xyz2gen --periodic values from the command line
#205
opened Aug 24, 2026 by
galjos
Member
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fix: reject truncated moldescriptor molecule blocks
#203
opened Aug 24, 2026 by
galjos
Member
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fix: size legacy RDF bins from the smallest box edge
#199
opened Aug 24, 2026 by
galjos
Member
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fix: repair test_ratio splitting and trajectory writing in NEPWriter
#197
opened Aug 24, 2026 by
galjos
Member
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fix: track written frames for traj2box step indices
#195
opened Aug 24, 2026 by
galjos
Member
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fix: write velocities or forces alone in restart files
#193
opened Aug 24, 2026 by
galjos
Member
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fix: write the QMCFC dummy row in vel, force, and charge files
#191
opened Aug 24, 2026 by
galjos
Member
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fix: copy AtomicSystem arrays and carry energy, virial, stress
#189
opened Aug 24, 2026 by
galjos
Member
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fix: keep the constructor topology in TrajectoryReader.read
#187
opened Aug 24, 2026 by
galjos
Member
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fix: build the inertia tensor from centred coordinates
#184
opened Aug 23, 2026 by
galjos
Member
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fix: map reference atoms to their residue for no_intra_molecular
#182
opened Aug 23, 2026 by
galjos
Member
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fix: validate the topology before opening the output file
#181
opened Aug 23, 2026 by
galjos
Member
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