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Chris Sandbox#14

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debeshmandal wants to merge 21 commits intomastersoftnanolab/drawNA:masterfrom chris-sandboxsoftnanolab/drawNA:chris-sandboxCopy head branch name to clipboard

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Commits on Oct 19, 2020

• test commit

  debeshmandal

  committed
  b75f0a9

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• some tasks for chris by debesh

  debeshmandal

  committed
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Commits on Feb 2, 2021

• Latest stable version

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  christopher-lau

  committed
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Commits on Feb 14, 2021

• Added function to generate matrix, there are bugs in visualisation function to be fixed later

  christopher-lau

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Commits on Feb 15, 2021

• updated visualisation of matrix

  

  Debesh Mandal

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• updated visualisation of matrix

  

  Debesh Mandal

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Commits on Feb 17, 2021

• Merge pull request #29 from softnanolab/debesh-chris-edits

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  debeshmandal

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  fbbc779

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• fixed issue with Spring and bulge property

  

  Debesh Mandal

  committed
  f07e3be

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Commits on Mar 2, 2021

• Added derivatives, did basic testing, further optimization needed, no updated matrix generation yet

  christopher-lau

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Commits on Mar 3, 2021

• Translational DoF in matrix added and tested

  christopher-lau

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Commits on Mar 8, 2021

• Removed irrelevant code after our discussion on Friday

  christopher-lau

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Commits on Mar 9, 2021

• Added energy calculation function called energy_function

  christopher-lau

  committed
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Commits on Mar 10, 2021

• Changed description of bending angle in calculating the bending energy to calculating the angle based on the x,y,z components of the beam direction, checked that energy output is the same

  christopher-lau

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Commits on Mar 17, 2021

• Implemented mrDNA model for bond energies calculation not including xovers

  christopher-lau

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• Unstable version for review

  christopher-lau

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Commits on Mar 18, 2021

• Added two test systems for pattern 1 and 3 in the CanDo paper, cannot do 2 because we don't have nick beams anymroe

  christopher-lau

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• Forgot to add the backbone beams in the previous commit, use this one to test energy minimization

  christopher-lau

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Commits on Mar 26, 2021

• energy minimisation for bond energies implemented

  christopher-lau

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• Added angular energy contributions but energy minimizer doesn't work anymore

  christopher-lau

  committed
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Commits on Apr 21, 2021

• Added all energy descriptions and minimiser seems to work

  christopher-lau

  committed
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Commits on Jun 7, 2021

• Add files via upload

  christopher-lau

  authored
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