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lab-cosmo
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Release 0.3.0 (#58)
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Seed the ASE RNG in VelocityVerlet, Langevin and Bussi (#54)
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Guard against multiple time-stepping in i-PI, document LAMMPS RESPA l…
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Fix Bussi thermostat degrees-of-freedom count and add zero-KE guard (…
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Vectorize per-step samples Labels construction (#56)
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Fix Bussi thermostat DOF count and add zero-KE guard
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Add support for flexible barostats in i-PI (#47)
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Guard energy rescale against unphysical steps (silent NaN)
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Guard energy rescale against unphysical steps (silent NaN)
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Guard energy rescale against unphysical steps (silent NaN)
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