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1. Commits on Mar 20, 2024

   • add depth charge integration, will go into attic temporarily

     

     dominicrufa

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2. Commits on Dec 8, 2023

   • fix again the softcore

     dominicrufa

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3. Commits on Dec 5, 2023

   • fix barostat

     dominicrufa

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4. Commits on Dec 3, 2023

   • remove unnecessary softcores

     dominicrufa

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5. Commits on Nov 14, 2023

   • use scipy minimize not lbfgs

     dominicrufa

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   • try to allow scaling epsilon

     dominicrufa

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   • fix per_particle parameter

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   • allow toggling optimize by particle

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6. Commits on Nov 13, 2023

   • forgot a sigma in sc_v2

     dominicrufa

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   • flatten quad_vec amenable fns

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7. Commits on Oct 30, 2023

   • add internal dowsing utilities and loss

     dominicrufa

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8. Commits on Oct 25, 2023

   • use softcore v2 lifting

     dominicrufa

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9. Commits on Oct 23, 2023

   • simplify perturbation

     dominicrufa

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10. Commits on Oct 19, 2023

    • fixing imports for dowse_util, add nn

      dominicrufa

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11. Commits on Oct 13, 2023

    • fix softcores

      dominicrufa

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12. Commits on Oct 12, 2023

    • delimiters are bad

      dominicrufa

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    • fixing to allow to_openmm functionality

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    • add dowsing utils

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13. Commits on Oct 9, 2023

    • fix atom map name

      dominicrufa

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14. Commits on Mar 27, 2023

    • reformat rf (for good?)

      dominicrufa

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15. Commits on Mar 23, 2023

    • add misc functionality for rf system generation

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16. Commits on Mar 22, 2023

    • temporary system prep util update

      dominicrufa

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17. Commits on Mar 21, 2023

    • fix the omission handler; works now

      dominicrufa

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    • misc variable name fixes for constraint treatment

      dominicrufa

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    • record the hybrid constraints; create another custom_bf that only handles constraints so it is r-independent and can be removed from simulation

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    • allow vacuum parameterization; misc; remove omissions from nbforce

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18. Commits on Mar 20, 2023

    • add omission options and refactor force equipment

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19. Commits on Mar 17, 2023

    • start lithium with separated alch forces

      dominicrufa

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20. Commits on Nov 19, 2022

    • allow theta optional

      dominicrufa

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    • fix num steps

      dominicrufa

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    • close colon in integrator

      dominicrufa

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21. Commits on Nov 18, 2022

    • update integrator

      dominicrufa

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    • update theta_global with theta

      dominicrufa

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    • update naming collision w/ theta and theta global

      dominicrufa

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    • fix position constraint

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