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Commits on Mar 20, 2024

• add depth charge integration, will go into attic temporarily

  

  dominicrufa

  committed
  3ff16e3

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Commits on Dec 8, 2023

• fix again the softcore

  dominicrufa

  committed
  d2d27bb

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Commits on Dec 5, 2023

• fix barostat

  dominicrufa

  committed
  3adbbca

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Commits on Dec 3, 2023

• remove unnecessary softcores

  dominicrufa

  committed
  ff7b7e0

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Commits on Nov 14, 2023

• use scipy minimize not lbfgs

  dominicrufa

  committed
  3873eec

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• try to allow scaling epsilon

  dominicrufa

  committed
  ff6b650

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• fix per_particle parameter

  dominicrufa

  committed
  75a11fb

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• allow toggling optimize by particle

  dominicrufa

  committed
  425e85f

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Commits on Nov 13, 2023

• forgot a sigma in sc_v2

  dominicrufa

  committed
  4ea41e3

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• flatten quad_vec amenable fns

  dominicrufa

  committed
  98c0347

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Commits on Oct 30, 2023

• add internal dowsing utilities and loss

  dominicrufa

  committed
  6da9c54

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Commits on Oct 25, 2023

• use softcore v2 lifting

  dominicrufa

  committed
  273f884

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Commits on Oct 23, 2023

• simplify perturbation

  dominicrufa

  committed
  102a21d

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Commits on Oct 19, 2023

• fixing imports for dowse_util, add nn

  dominicrufa

  committed
  4430338

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Commits on Oct 13, 2023

• fix softcores

  dominicrufa

  committed
  2198e08

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Commits on Oct 12, 2023

• delimiters are bad

  dominicrufa

  committed
  60d9d7e

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• fixing to allow to_openmm functionality

  dominicrufa

  committed
  881b630

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• add dowsing utils

  dominicrufa

  committed
  1ca1991

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Commits on Oct 9, 2023

• fix atom map name

  dominicrufa

  committed
  3ff2cef

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Commits on Mar 27, 2023

• reformat rf (for good?)

  dominicrufa

  committed
  56b2841

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Commits on Mar 23, 2023

• add misc functionality for rf system generation

  dominicrufa

  committed
  82f644c

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Commits on Mar 22, 2023

• temporary system prep util update

  dominicrufa

  committed
  f5ab2b3

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Commits on Mar 21, 2023

• fix the omission handler; works now

  dominicrufa

  committed
  3986ffe

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• misc variable name fixes for constraint treatment

  dominicrufa

  committed
  0886041

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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

  dominicrufa

  committed
  545043b

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• allow vacuum parameterization; misc; remove omissions from nbforce

  dominicrufa

  committed
  e66263a

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Commits on Mar 20, 2023

• add omission options and refactor force equipment

  dominicrufa

  committed
  e60329e

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Commits on Mar 17, 2023

• start lithium with separated alch forces

  dominicrufa

  committed
  ce9ec4d

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Commits on Nov 19, 2022

• allow theta optional

  dominicrufa

  committed
  a4f0535

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• fix num steps

  dominicrufa

  committed
  bc50d83

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• close colon in integrator

  dominicrufa

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  f37ccf8

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Commits on Nov 18, 2022

• update integrator

  dominicrufa

  committed
  0370015

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• update theta_global with theta

  dominicrufa

  committed
  73fe06c

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• update naming collision w/ theta and theta global

  dominicrufa

  committed
  f451943

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• fix position constraint

  dominicrufa

  committed
  8d8e8a8

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