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Commits on Feb 11, 2015

• Update README.md

  

  keeeto

  committed
  790ebf6

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Commits on Dec 19, 2014

• Merge branch 'master' of github.com:WMD-Bath/MacroDensity

  

  Keith Butler

  committed
  e93ba41

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• Made OnSite compatible with updates in PotentialModule

  

  Keith Butler

  committed
  89a91d2

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Commits on Oct 16, 2014

• minor typo

  

  keeeto

  committed
  dbef011

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Commits on Sep 10, 2014

• Merge branch 'master' of github.com:WMD-Bath/MacroDensity

  

  Keith Butler

  committed
  1f93ec5

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• Dipole correction post processing script

  

  Keith Butler

  committed
  0f1b529

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Commits on Sep 1, 2014

• Updated README with OnSitePotentials.py

  

  keeeto

  committed
  f8ea0b7

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• New example

  

  Keith Butler

  committed
  3818b87

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• Cube file reading

  

  Keith Butler

  committed
  085e9ac

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Commits on Aug 3, 2014

• Update README.md

  

  keeeto

  committed
  19ffe65

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• Update README.md

  

  keeeto

  committed
  1829558

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• New examples

  

  Keith Butler

  committed
  a653445

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• Merge branch 'master' of https://github.com/WMD-Bath/MacroDensity

  

  Keith Butler

  committed
  c6434b7

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• Update README.md

  

  keeeto

  committed
  48ee751

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• New example scripts

  

  Keith Butler

  committed
  3e087bd

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• Update README.md

  

  keeeto

  committed
  3422421

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• Update README.md

  

  keeeto

  committed
  a8f3456

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• Update README.md

  

  keeeto

  committed
  a15f133

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• Update README.md

  

  keeeto

  committed
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Commits on Jun 16, 2014

• Python headers

  aronwalsh

  committed
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Commits on May 29, 2014

• Spherial averaging

  

  Keith Butler

  committed
  d3ea942

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Commits on May 7, 2014

• Fixed spline_generate

  

  Keith Butler

  committed
  31bf5f6

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• Change charge density to # electrons

  

  Keith Butler

  committed
  3953ed1

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Commits on May 6, 2014

• Updated for charge difference

  

  Keith Butler

  committed
  65ec7d3

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Commits on May 2, 2014

• Added field volume calculator

  

  Keith Butler

  committed
  4fc0de6

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• re-added old grad magnitude functionality

  

  Keith Butler

  committed
  d12acfa

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• Updated for numbr of electrons output for density_2_grid

  

  Keith Butler

  committed
  e15bc58

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• Updated Control file to reflect new NewModule.py for lattice vector calculations

  

  Keith Butler

  committed
  ffafe0d

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• Added functionality for density difference between slab calculation and the gedanken density to get the surface dipole

  

  Keith Butler

  committed
  8cd0529

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Commits on Apr 17, 2014

• Added csv output for potentials

  

  Keith Butler

  committed
  0fa1445

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Commits on Apr 10, 2014

• Fixed units of electrostatic field

  

  Keith Butler

  committed
  d184e4c

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• Added functionallity to convert the abscissa to units of Angstrom

  

  Keith Butler

  committed
  b9c750a

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• Updated weighting for travelling in different directions in the cuboid_average function

  

  Keith Butler

  committed
  f638559

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Commits on Mar 19, 2014

• Fixed input and gitignore

  

  Keith Butler

  committed
  cb17f2d

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• Switched origin input to fractional coordinates

  

  Keith Butler

  committed
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