Releases: Spin-Chemistry-Labs/radicalpy
Releases · Spin-Chemistry-Labs/radicalpy
v1.0.9
18 Nov 04:32
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Merge pull request #208 from Spin-Chemistry-Labs/207-add-kinetics-to-…
v1.0.8
10 Nov 06:03
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Merge pull request #206 from Spin-Chemistry-Labs/205-add-soc-and-nqi-…
v1.0.7
07 Nov 07:50
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1.0.6
07 Nov 07:01
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Fix errors and warnings in docstrings.
v1.0.5
06 Nov 15:45
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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
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PDB to ORCA input file function
Dipolar tensor from dipolar vectors
v.1.0.3
31 Oct 16:30
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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
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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
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Update 02_chemical_kinetics_and_molecular_motion.ipynb