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[WIP] Implement FIRE minimizer as CustomIntegrator #102

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[WIP] Implement FIRE minimizer as CustomIntegrator #102

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Commits on Oct 5, 2015

  1. Draft implementation of FIRE minimizer

    @jchodera
    jchodera committed Oct 5, 2015
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  2. Added test script for FIRE minimizer

    @jchodera
    jchodera committed Oct 5, 2015
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Commits on Oct 14, 2015

  1. Updates.

    @jchodera
    jchodera committed Oct 14, 2015
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Commits on Oct 17, 2015

  1. Edits.

    @jchodera
    jchodera committed Oct 17, 2015
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  2. Merge branch 'fire' of github.com:jchodera/openmmtools into fire 

    Conflicts:
	openmmtools/scripts/test_fire_minimizer.py
    @jchodera
    jchodera committed Oct 17, 2015
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Commits on Nov 3, 2015

  1. Restore sobol as default method for placing particles.

    @jchodera
    jchodera committed Nov 3, 2015
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Commits on Nov 16, 2015

  1. Merge remote-tracking branch 'upstream/master' into fire

    @jchodera
    jchodera committed Nov 16, 2015
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  2. Update test with timing test (not a real test yet).

    @jchodera
    jchodera committed Nov 16, 2015
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