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Commits on Sep 17, 2024

• Fix units on pressure input

  lmhale99

  committed
  9aa89b1

Commits on Sep 6, 2024

• moved raw data from record to tar

  lmhale99

  committed
  d2ebda6

Commits on Aug 28, 2024

• Pass prepared calc names to fix_lammps_versions and only rewrite files that were updated

  lmhale99

  committed
  cf1ab64

Commits on Aug 26, 2024

• new emperor scripts with embedded runners

  lmhale99

  committed
  e2d34d7

• prepare now returns list of prepared calc names

  lmhale99

  committed
  e35e1f7

Commits on Aug 19, 2024

• Updates after testing

  lmhale99

  committed
  a1bd3af

• Fixes for better support of troublesome potentials

  lmhale99

  committed
  66878e1

Commits on Aug 6, 2024

• Merge branch 'master' of github.com:lmhale99/iprPy

  lmhale99

  committed
  3ef58a4

• viscosity_green_kubo calculation consistency and cleanup update

  lmhale99

  committed
  d3f08f3

• viscosity_driving calculation consistency and cleanup update

  lmhale99

  committed
  49d34b6

• Minor updates

  lmhale99

  committed
  23349c7

Commits on Aug 5, 2024

• Merge branch 'master' of github.com:PeterWinstel/iprPy

  lmhale99

  committed
  2f6815d

• Added pool 17 and moved box/static relaxes to pool 3

  lmhale99

  committed
  fae14d3

Commits on Aug 2, 2024

• Fix slurm output file names

  lmhale99

  committed
  a6af8d9

• adding scripts for automated prepare/runs

  lmhale99

  committed
  a5b4792

• Emperor prepare updates

  lmhale99

  committed
  f073d09

Commits on Aug 1, 2024

• Harmonic Mean Calculation, Improved Comments

  PeterWinstel

  committed
  580ccec

• Update master prepare settings to reduce max cycles and turn off error at max cycles

  lmhale99

  committed
  f5c543f

• Merge pull request #7 from jaclark5/update_docs

  lmhale99

  authored
  17892be

• Merge pull request #9 from lmhale99/liquidcalcs

  lmhale99

  authored
  dd2ea8f

• Merge branch 'master' of github.com:PeterWinstel/iprPy into liquidcalcs

  lmhale99

  committed
  d6842a8

• fix for more lines in diatom plots

  lmhale99

  committed
  a29f131

• added try loop to run when saving the results.json file

  lmhale99

  committed
  3ed15a3

• code rearrangement

  lmhale99

  committed
  e6640d5

• added query kwargs to merge_records

  lmhale99

  committed
  64e3abc

• updated master prepare settings and added to emperor prepare

  lmhale99

  committed
  49b51e3

Commits on Jul 31, 2024

• Merge branch 'master' into liquidcalcs

  lmhale99

  committed
  8fa223d

• debug and code cleanup

  lmhale99

  committed
  8994358

• Replaced avg with average in numpy

  PeterWinstel

  committed
  2d788c3

• File and parameter renaming, minor cleanup

  lmhale99

  committed
  020c19f

• Update Postprocessing

  PeterWinstel

  committed
  6547f09

Commits on Jul 26, 2024

• Combined Diffusion Method

  PeterWinstel

  committed
  867a9e2

Commits on Jul 15, 2024

• Error Calculations Changed and System Mods added to Driving

  PeterWinstel

  committed
  d8115ab

Commits on Jul 12, 2024

• new version of relax_liquid

  lmhale99

  committed
  222f588

• Fix for bug where calcs may be deleted by other runners

  lmhale99

  committed
  c1483cd

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