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manually casting objects to np arrays when reading checkpoint #701

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Jun 1, 2023
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manually casting objects to np arrays when reading checkpoint #701

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6 changes: 3 additions & 3 deletions openmmtools/multistate/multistatesampler.py
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Original file line number Diff line number Diff line change
Expand Up @@ -1025,12 +1025,12 @@ def _read_options(check_iteration):
self._thermodynamic_states = thermodynamic_states
self._unsampled_states = unsampled_states
self._sampler_states = sampler_states
self._replica_thermodynamic_states = state_indices
self._replica_thermodynamic_states = np.array(state_indices)
self._energy_thermodynamic_states = energy_thermodynamic_states
self._neighborhoods = neighborhoods
self._energy_unsampled_states = energy_unsampled_states
self._n_accepted_matrix = n_accepted_matrix
self._n_proposed_matrix = n_proposed_matrix
self._n_accepted_matrix = np.array(n_accepted_matrix)
self._n_proposed_matrix = np.array(n_proposed_matrix)
self._metadata = metadata

self._last_mbar_f_k = last_mbar_f_k
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