<commit_before>#!/usr/local/bin/env python

# ==============================================================================
# MODULE DOCSTRING
# ==============================================================================

"""
SamsSampler
===========

Self-adjusted mixture sampling (SAMS), also known as optimally-adjusted mixture sampling.

This implementation uses stochastic approximation to allow one or more replicas to sample the whole range of thermodynamic states
for rapid online computation of free energies.

COPYRIGHT

Written by <NAME> <<EMAIL>> while at Memorial Sloan Kettering Cancer Center.

LICENSE

This code is licensed under the latest available version of the MIT License.

"""

import logging
import numpy as np
import openmmtools as mmtools
from scipy.misc import logsumexp

from .. import mpi
from .multistatesampler import MultiStateSampler
from .multistatereporter import MultiStateReporter
from .multistateanalyzer import MultiStateSamplerAnalyzer
<commit_msg>Import logsum from scipy.special instead of scipy.mics<commit_after>#!/usr/local/bin/env python

# ==============================================================================
# MODULE DOCSTRING
# ==============================================================================

"""
SamsSampler
===========

Self-adjusted mixture sampling (SAMS), also known as optimally-adjusted mixture sampling.

This implementation uses stochastic approximation to allow one or more replicas to sample the whole range of thermodynamic states
for rapid online computation of free energies.

COPYRIGHT

Written by <NAME> <<EMAIL>> while at Memorial Sloan Kettering Cancer Center.

LICENSE

This code is licensed under the latest available version of the MIT License.

"""

import logging
import numpy as np
import openmmtools as mmtools
from scipy.special import logsumexp

from .. import mpi
from .multistatesampler import MultiStateSampler
from .multistatereporter import MultiStateReporter
from .multistateanalyzer import MultiStateSamplerAnalyzer

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