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Implemented CUDA'fied force-dependent extrusion
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polychrom_hoomd/extrude.py

Lines changed: 1 addition & 1 deletion
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@@ -62,7 +62,7 @@ def update_topology(system, bond_list, local=True, thermalize=False):
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def boltzmann_criterion(system, current_bond_list, trial_bond_list, step_dist=0.4, rest_dist=0.5, threads_per_block=256):
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"""Apply (3D) Boltzmann criterion to list of attempted (1D) extruder moves, based on harmonic bond potential"""
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mu = xp.float64(rest_dist)
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mu = xp.float64(rest_dist)
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sigma2 = xp.float64(step_dist**2) * 2.
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hbox = xp.asarray(system.state.box.L, dtype=xp.float64) / 2.

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