NWChemEx / SimDE

Software development kit for the NWChemEx Community.
https://nwchemex.github.io/SimDE/
Apache License 2.0
0 stars 0 forks source link

Handle Derivative Order in `IntegralFactory` Property Type #122

Closed wavefunction91 closed 1 year ago

wavefunction91 commented 1 year ago

PR Type

Brief Description

Adds an integral "Derivative Order" to the IntegralFactory property type. Meant to allow for exposure of integral derivatives downstream.

Not In Scope

The original design pattern was to expose the derivative order of IntegralFactory via template metaprogramming. This PR does not attempt to adhere to this pattern.

PR Checklist

ryanmrichard commented 1 year ago

🚀 [bumpr] Bumped! New version:v0.0.14 Changes:v0.0.13...v0.0.14