Code

Spx log parser#1222

Code

Merged

samwaseda merged 22 commits intomainpyiron/pyiron_atomistics:mainfrom spx_output_parserpyiron/pyiron_atomistics:spx_output_parserCopy head branch name to clipboardNov 28, 2023

+242-207

Commits

Commits on Nov 27, 2023

• change join readlines to read

  samwaseda

  committed
  aee5a54

  Copy full SHA for aee5a54

• add docstring

  samwaseda

  committed
  0670028

  Copy full SHA for 0670028

• remove unused spin_enabled

  samwaseda

  committed
  8f281fb

  Copy full SHA for 8f281fb

• make SLP a public class

  samwaseda

  committed
  4682e88

  Copy full SHA for 4682e88

• import re

  samwaseda

  committed
  76e394b

  Copy full SHA for 76e394b

• add more physical constants

  samwaseda

  committed
  b47bb12

  Copy full SHA for b47bb12

• change force parser

  samwaseda

  committed
  a9d9828

  Copy full SHA for a9d9828

• add the unit conversion

  samwaseda

  committed
  b81198f

  Copy full SHA for b81198f

• make fermi shorter

  samwaseda

  committed
  261a23a

  Copy full SHA for 261a23a

• remove parser from base.py

  samwaseda

  committed
  c89e611

  Copy full SHA for c89e611

Commits on Nov 28, 2023

• add splitter

  samwaseda

  committed
  7c524d7

  Copy full SHA for 7c524d7

• correct warning

  samwaseda

  committed
  02cf668

  Copy full SHA for 02cf668

• Format black

  pyiron-runner

  committed
  17dc048

  Copy full SHA for 17dc048

• change argument name

  samwaseda

  committed
  93565b7

  Copy full SHA for 93565b7

• append doc

  samwaseda

  committed
  eff1eed

  Copy full SHA for eff1eed

• check permutation

  samwaseda

  committed
  87473ff

  Copy full SHA for 87473ff

• Merge branch 'spx_output_parser' of github.com:pyiron/pyiron_atomistics into spx_output_parser

  samwaseda

  committed
  f6c75ba

  Copy full SHA for f6c75ba

• replace logger by warnings

  samwaseda

  committed
  55d38ef

  Copy full SHA for 55d38ef

• Format black

  pyiron-runner

  committed
  a7d507c

  Copy full SHA for a7d507c

• correct doc

  samwaseda

  committed
  233222a

  Copy full SHA for 233222a

• read file inside parser

  samwaseda

  committed
  cc454e3

  Copy full SHA for cc454e3

• remove redundant FileNotFoundError

  samwaseda

  committed
  7e33374

  Copy full SHA for 7e33374