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First commit of JWB's vib-EELS code - #67

Draft

irrotational wants to merge 26 commits into

optados-developers:developfrom

irrotational:phonons

Draft

First commit of JWB's vib-EELS code#67
irrotational wants to merge 26 commits into
optados-developers:developfrom
irrotational:phonons

Commits on Feb 23, 2022
- First check-in of Sabrina's PhonPrep.py
  ajm143
  committed
  835ed36
Commits on Feb 24, 2022
- Version 2 from Sabrina
  ajm143
  committed
  3e6815e
- Testing permission to write
  SabbieWang
  committed
  66eba09
Commits on Feb 28, 2022
- Changes to PhononPrep.py as requested by Andrew + Rebecca, added folder containing some .castep files for testing PhononPrep.py called phononprep_test
  SabbieWang
  committed
  9a58b20
- deleted some .adf and .chge_trans outputs for cleanliness
  SabbieWang
  committed
  5085765
Commits on Mar 2, 2022
- Added some headers and subroutine outlines for Phonon EELS using keywords disucssed with RJN.
  ajm143
  committed
  1e98b5c
Commits on Mar 3, 2022
- First attempt at an ADF reader
  ajm143
  committed
  4c24999
Commits on Mar 4, 2022
- First attempt at reading a phonon file
  ajm143
  committed
  a45bf55
Commits on Mar 10, 2022
Commits on Mar 11, 2022
- Merge branch 'develop' of github.com:optados-developers/optados into develop
  ajm143
  committed
  a61108b
- Merge develop into phonons
  ajm143
  committed
  5bc2e0b
Commits on Mar 28, 2022
- change PhonPrep.py to separate atom name and number in output .chge_trans and .adf files
  SabbieWang
  committed
  ec7b298
- Tested PhonoPrep.py changes for separating atom name and number change
  SabbieWang
  committed
  d7c911a
Commits on Jul 1, 2022
- Joint codefest between AJM and RJN looking at aloof_scattering.
  ajm143
  committed
  166ac3f
Commits on Sep 16, 2022
- Uploading code so Sabrina can see it
  Rebecca-Nicholls
  committed
  0b67502
Commits on Oct 20, 2022
- Latest version of semiclassical - doesn't work
  Rebecca-Nicholls
  committed
  0f47e18
Commits on Nov 12, 2025
- Merge develop into phonons
  Andrew Morris (Metallurgy and Materials)
  committed
  ca3f5b4
- Tidied phonon_eels ready for further work. Put the make.system back to gfortran, as it should be.
  Andrew Morris (Metallurgy and Materials)
  committed
  b8a904a
Commits on Nov 14, 2025
- Tweaks and prototyping with RJN ready to code up impact scattering
  Andrew Morris (Metallurgy and Materials)
  committed
  0086347
Commits on Jun 9, 2026
- First commit of JWB's vib-EELS code
  irrotational
  committed
  6590619
Commits on Jun 20, 2026
- ran pre-commit, code now fprettified
  irrotational
  committed
  c9f9ea3
Commits on Jun 21, 2026
- Updated documentation for vib-EELS
  irrotational
  committed
  1e0d9c6
Commits on Jun 22, 2026
- Fixed bug in aff/dwf outfile unit numbers
  irrotational
  committed
  2b1e5fa
Commits on Jun 27, 2026
- Improved handling of LO/TO splitting for aloof
  irrotational
  committed
  b71cd7d

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Commits on Mar 28, 2022

Commits on Jul 1, 2022

Commits on Sep 16, 2022

Commits on Oct 20, 2022

Commits on Nov 12, 2025

Commits on Nov 14, 2025

Commits on Jun 9, 2026

Commits on Jun 20, 2026

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Commits on Jun 27, 2026