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Releases: Spin-Chemistry-Labs/radicalpy

v1.0.9

18 Nov 04:32
3e00ee1

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Merge pull request #208 from Spin-Chemistry-Labs/207-add-kinetics-to-…

v1.0.8

10 Nov 06:03
77315ae

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Merge pull request #206 from Spin-Chemistry-Labs/205-add-soc-and-nqi-…

v1.0.7

07 Nov 07:50
0570a5d

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Add new examples.

1.0.6

07 Nov 07:01

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Fix errors and warnings in docstrings.

v1.0.5

06 Nov 15:45
08592de

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  • Coherent control and field switching experiments
  • CISS, 2nd order polarisation, triplet x, y, z projection operators
  • New unit conversions, GHz, meV, mK, J
  • On-resonance stick generator
  • Spin character utility

v1.0.4

03 Nov 07:24
43cb636

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  • PDB to ORCA input file function
  • Dipolar tensor from dipolar vectors

v.1.0.3

31 Oct 16:30
932f520

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Updates include:

  • Linblad Liouvillian
  • Bloch-Redfield Liouvillian
  • Projection operators for all 9 states of triplet-triplet pairs
  • General semiclassical MARY experiment
  • Purity, von Neumann entropy, negativity utils

v1.0.2

24 Oct 06:01
d125221

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Add new experiment mary_semiclassical

1.0.1

19 Oct 12:55

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Added radicalpy.__version__

v1.0.0

14 Oct 08:03
c9ce77a

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Update 02_chemical_kinetics_and_molecular_motion.ipynb