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Pull requests: lab-cosmo/flashmd

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Pull requests list

Fix Bussi thermostat DOF count and add zero-KE guard
#57 opened Sep 8, 2026 by zyxwwxyz Contributor Loading…
3 tasks done
Vectorize per-step samples Labels construction
#56 opened Sep 8, 2026 by zyxwwxyz Contributor Loading…
3 tasks done
Guard energy rescale against unphysical steps (silent NaN)
#55 opened Sep 4, 2026 by zyxwwxyz Contributor • Draft
1 task done
Seed the ASE RNG in VelocityVerlet, Langevin and Bussi
#54 opened Sep 4, 2026 by zyxwwxyz Contributor • Draft
3 tasks done
Add EquipartitionMonitor to catch per-group temperature drift
#53 opened Sep 4, 2026 by zyxwwxyz Contributor • Draft
2 tasks done
Guard against multiple time-stepping in i-PI, document LAMMPS RESPA limitation
#52 opened Sep 4, 2026 by zyxwwxyz Contributor Loading…
2 tasks
Add export_symplectic_model for simulation engine integration
#45 opened May 19, 2026 by johannes-spies Contributor • Draft
Add Al example for symplectic integrator
#44 opened May 19, 2026 by johannes-spies Contributor • Draft
ProTip! Updated in the last three days: updated:>2026-09-05.