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Add OutputInitial DynamicsOutput #337

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merged 2 commits into from
Apr 11, 2024
Merged

Add OutputInitial DynamicsOutput #337

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af59b09
Add OutputInitial DynamicsOutput
Alexsp32 Apr 11, 2024
eeb99e0
Version bump with merge of #336, #337
Alexsp32 Apr 11, 2024
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2 changes: 1 addition & 1 deletion Project.toml
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
name = "NQCDynamics"
uuid = "36248dfb-79eb-4f4d-ab9c-e29ea5f33e14"
authors = ["James <james.gardner1421@gmail.com>"]
version = "0.13.5"
version = "0.13.6"

[deps]
AdvancedHMC = "0bf59076-c3b1-5ca4-86bd-e02cd72cde3d"
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6 changes: 6 additions & 0 deletions src/DynamicsOutputs.jl
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Expand Up @@ -172,6 +172,12 @@ Output the total adiabatic population at each timestep during the trajectory.
OutputTotalAdiabaticPopulation(sol, i) = sum.(Estimators.adiabatic_population.(sol.prob.p, sol.u))
export OutputTotalAdiabaticPopulation

"""
Output the first point of each trajectory in DynamicsVariables format. (Useful when using distributions for initial conditions.)
"""
OutputInitial(sol, i) = first(sol.u)
export OutputInitial

"""
Output the end point of each trajectory.
"""
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