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NQCD
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NQCModels.jl
Interface for defining model systems for nonadiabatic dynamics
MIT License
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Insert of coupling_rescale in wide_band_bath_discretisation.jl
#42
reinimaurer1
opened
1 hour ago
0
Add specific model types for diagonal and tensorial friction.
#41
Alexsp32
opened
1 week ago
1
Restore missing docstring
#40
Alexsp32
closed
1 month ago
0
Draft: Combine multiple `ElectronicFrictionProvider`s (or `Model`s) into a single model.
#39
Alexsp32
opened
1 month ago
0
PyCall → PythonCall
#38
Alexsp32
closed
1 month ago
1
Harmonize units of electronic friction matrix returned by `friction!` calls
#37
Alexsp32
opened
2 months ago
0
Expand model library to include interfaces to ML potentials and DFT codes
#36
Alexsp32
opened
2 months ago
0
Made ASE interface aware of FixAtoms constraints
#35
Alexsp32
opened
7 months ago
0
New version: 0.8.20
#34
Louhokseson
closed
10 months ago
1
added some comments on NA model and test
#33
Louhokseson
opened
10 months ago
1
Constraints
#32
wgst
opened
10 months ago
0
New version: 0.8.20
#31
wgst
closed
10 months ago
0
Calculate DiabaticMDEF friction tensor only for projectile
#30
Alexsp32
opened
10 months ago
0
Make AdiabaticASEModel aware of constraints in ase structures
#29
Alexsp32
closed
1 month ago
2
Create interface to md_tian2 potentials
#28
jamesgardner1421
opened
1 year ago
4
CompatHelper: bump compat for FastGaussQuadrature to 0.5, (keep existing compat)
#27
github-actions[bot]
closed
1 year ago
0
Remove UnitfulRecipes
#26
jamesgardner1421
closed
1 year ago
0
Fix coupling in ShenviGaussLegendre
#25
jamesgardner1421
closed
1 year ago
0
Modify ShenviGaussLegendre to shift band edges
#24
jamesgardner1421
closed
1 year ago
0
Add AdiabaticStateSelector
#23
jamesgardner1421
closed
2 years ago
0
Add fermi level choice to AndersonHolstein
#22
jamesgardner1421
closed
2 years ago
0
Remove allocations from AndersonHolstein model
#21
jamesgardner1421
closed
2 years ago
0
Refactor MiaoSubotnik model
#20
jamesgardner1421
closed
2 years ago
0
Add AndersonHolstein model
#19
jamesgardner1421
closed
2 years ago
0
Gaussquad
#18
smjanke
closed
2 years ago
1
Allow multidimensional WideBandBath models
#17
jamesgardner1421
closed
2 years ago
0
Add convenient iterators for looping
#16
jamesgardner1421
closed
2 years ago
0
Update WideBandBath model and add extra plotting options
#15
jamesgardner1421
closed
2 years ago
0
Remove Zygote and add ForwardDiff
#14
jamesgardner1421
closed
2 years ago
0
Add new models
#13
jamesgardner1421
closed
2 years ago
0
feat: add AveragedPotential
#12
jamesgardner1421
closed
2 years ago
0
Rename package
#11
jamesgardner1421
closed
2 years ago
0
feat: state independent potentials
#10
jamesgardner1421
closed
2 years ago
0
feat: add CompositeFrictionModel and ASEFriction
#9
jamesgardner1421
closed
2 years ago
0
Add legend and change colors of diabatic recipe
#8
jamesgardner1421
closed
2 years ago
0
CompatHelper: add new compat entry for "Reexport" at version "1"
#7
github-actions[bot]
closed
3 years ago
0
Refactor code structure with some improvements
#6
jamesgardner1421
closed
3 years ago
1
Add Ohmic spectral density and refactor spin boson model
#5
jamesgardner1421
closed
3 years ago
0
Extra model attributes
#4
jamesgardner1421
closed
3 years ago
0
Add AdiabaticASEModel
#3
jamesgardner1421
closed
3 years ago
1
adding tully's 3rd model
#2
wgst
closed
3 years ago
0
Use StaticArrays for small diabatic models
#1
jamesgardner1421
closed
3 years ago
0