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Add external work alchemical Langevin splitting integrator #53

Merged
merged 11 commits into from
Apr 26, 2017
Merged

Add external work alchemical Langevin splitting integrator #53

merged 11 commits into from
Apr 26, 2017

Commits on Apr 24, 2017

  1. added alchemical splitting integrator

    sgill2 committed Apr 24, 2017
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  2. fixed import statements

    sgill2 committed Apr 24, 2017
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  3. changed to inherit from base ncmcintegrator class

    sgill2 committed Apr 24, 2017
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Commits on Apr 25, 2017

  1. fixed super self references

    sgill2 committed Apr 25, 2017
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  2. added test for new integrator

    sgill2 committed Apr 25, 2017
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  3. added function to actually test

    sgill2 committed Apr 25, 2017
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  4. fixed import

    sgill2 committed Apr 25, 2017
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  5. checks if steps_per_propogation is behaving

    sgill2 committed Apr 25, 2017
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  6. update doc string to reflect difference with orig

    sgill2 committed Apr 25, 2017
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  7. made energy consistent (in kT) for external work

    sgill2 committed Apr 25, 2017
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Commits on Apr 26, 2017

  1. Merge branch 'master' into integrators

    Nathan Lim committed Apr 26, 2017
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