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Commits on May 15, 2024

• Now all the mass fluxes will be printed

  gdbhcxhmjk-z

  committed
  4859672

• Fix the bug of EMD_run_main() which used the param as artifacts (parameters instead)

  gdbhcxhmjk-z

  committed
  07a18eb

• fix the bug of EMD_MD_OPs.py. Now the param can be used correctly

  gdbhcxhmjk-z

  committed
  81377d9

Commits on May 29, 2023

• Remove the irrelevant files

  gdbhcxhmjk-z

  committed
  ed39719

• Update the READEME

  gdbhcxhmjk-z

  committed
  1e5fec4

• Improve the json settings

  gdbhcxhmjk-z

  committed
  399db56

Commits on May 28, 2023

• fix the bug in machine_loader

  gdbhcxhmjk-z

  committed
  da505a3

• fix the bug in machine_loader

  gdbhcxhmjk-z

  committed
  65d5dac

• adjust the code for using bohrium and cluster both

  gdbhcxhmjk-z

  committed
  4d1c08f

Commits on May 27, 2023

• Merge branch 'main' of github.com:gdbhcxhmjk-z/ThermalConductivity-Workflow

  gdbhcxhmjk-z

  committed
  ac17848

• add the slurm loader in NEMD_run.py

  gdbhcxhmjk-z

  committed
  19d37ca

Commits on May 9, 2023

• Update parameters.json

  gdbhcxhmjk-z

  authored
  a8c7842

• upload submit.py

  gdbhcxhmjk-z

  committed
  84dacb0

• Upload scripts tcflow

  gdbhcxhmjk-z

  committed
  9d175a1

Commits on May 7, 2023

• Update machine.json

  gdbhcxhmjk-z

  authored
  2ef5684

Commits on Apr 18, 2023

• Add the NEMD_run in scripts

  gdbhcxhmjk-z

  committed
  cf848e5

Commits on Apr 11, 2023

• Fix the bug of scripts

  gdbhcxhmjk-z

  committed
  a6eb834

• Fix the bug of scripts

  gdbhcxhmjk-z

  committed
  f5caffa

• Fix the bug of scripts

  gdbhcxhmjk-z

  committed
  ae71e57

• Fix the bug of scripts

  gdbhcxhmjk-z

  committed
  701a029

• Fix the bug of scripts

  gdbhcxhmjk-z

  committed
  120de9e

• Fix the bug of scripts

  gdbhcxhmjk-z

  committed
  ec0f33c

• adjust the parameters in the Ar NEMD example

  gdbhcxhmjk-z

  committed
  14bf316

• Add the scripts

  gdbhcxhmjk-z

  committed
  f2f5d07

• Fix bugs in NEMD

  gdbhcxhmjk-z

  committed
  e1fda6a

• Add the Ar example of NEMD

  gdbhcxhmjk-z

  committed
  a27ac71

• upload the NEMD workflow

  gdbhcxhmjk-z

  committed
  b8ef5d2

• add the code from . import input_gen

  gdbhcxhmjk-z

  committed
  c17cff4

Commits on Mar 28, 2023

• fix the bug in run file

  gdbhcxhmjk-z

  committed
  c1e7100

• fix the bug in run file

  gdbhcxhmjk-z

  committed
  0848174

• fix the bug in run file

  gdbhcxhmjk-z

  committed
  f8c08c9

• fix the bug in run file

  gdbhcxhmjk-z

  committed
  72a142a

• fix the bug in run file

  gdbhcxhmjk-z

  committed
  1062422

• fix the bug of centroid virial calculation

  gdbhcxhmjk-z

  committed
  1f2f3d9

• add the EMD/water demo

  gdbhcxhmjk-z

  committed
  e520258

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