Code

Improve/kinds generation#50

Code

Closed

mikibonacci wants to merge 16 commits intoaiidateam:developaiidateam/aiida-atomistic:developfrom mikibonacci:improve/kinds_generationmikibonacci/aiida-atomistic:improve/kinds_generationCopy head branch name to clipboard

+4,072-730

Commits

Commits on Sep 3, 2024

• Documentation on how to submit a standard PwBaseWorkChain.

  mikibonacci

  committed
  d22dee4

  Copy full SHA for d22dee4

• Updating defaults

  Show description for 8e0fef3
  

  mikibonacci

  and

  jiang-yuha0

  committed
  8e0fef3

  Copy full SHA for 8e0fef3

Commits on Sep 9, 2024

• Adding the migration plugin guidelines.

  Show description for 7b7b141
  mikibonacci

  committed
  7b7b141

  Copy full SHA for 7b7b141

• Refining the guidelines for migration

  mikibonacci

  committed
  5ff4dee

  Copy full SHA for 5ff4dee

Commits on Sep 15, 2024

• Defined properties as dictionary of sets, not lists.

  mikibonacci

  committed
  b993edf

  Copy full SHA for b993edf

Commits on Sep 25, 2024

• Swtiching the Defined and Computed fields

  Show description for 6163b85
  mikibonacci

  committed
  6163b85

  Copy full SHA for 6163b85

• Adapting also the get_kinds routine

  mikibonacci

  committed
  0cd5edf

  Copy full SHA for 0cd5edf

• Allowing sites to be part of the input dict

  Show description for ec19eb3
  mikibonacci

  committed
  ec19eb3

  Copy full SHA for ec19eb3

• Fixing some bug in the cell determination if list of sites

  mikibonacci

  committed
  0dfef43

  Copy full SHA for 0dfef43

• Allow the user to provide alloy as list of elements

  Show description for 3f1467d
  mikibonacci

  committed
  3f1467d

  Copy full SHA for 3f1467d

Commits on Sep 26, 2024

• Added the Hubbard BaseModel as property

  Show description for 9f15815
  mikibonacci

  committed
  9f15815

  Copy full SHA for 9f15815

Commits on Sep 30, 2024

• Adding documentation for examples

  Show description for 40a38d5
  mikibonacci

  committed
  40a38d5

  Copy full SHA for 40a38d5

• Adding EoS example with WorkGraph

  mikibonacci

  committed
  fd8ec3c

  Copy full SHA for fd8ec3c

• Switch model for deployment of the github page

  mikibonacci

  committed
  65b08e3

  Copy full SHA for 65b08e3

Commits on Oct 11, 2024

• Merge pull request #2 from mikibonacci/switch_models

  Show description for 314c034
  mikibonacci

  authored
  314c034

  Copy full SHA for 314c034

• Make explicit how to set the kinds thresholds

  Show description for d77a82b
  mikibonacci

  committed
  d77a82b

  Copy full SHA for d77a82b