Closed jwaldrop107 closed 5 months ago
@jwaldrop107 take a look at the changes. They should be largely consistent with what you had except:
simde
namespace. The verboseness should make it so the PTs don't clash with PTs like AOEnergyGradientD
(which we can reserve for our preferred specialization). TotalEnergy
before AOEnergy
since TotalEnergy
derives from AOEnergy
.🚀 [bumpr] Bumped! New version:v0.0.32 Changes:v0.0.31...v0.0.32
Description Introduces typedefs for gradients and hessians where the
TensorType
isstd::vector<double>
, primarily so that they can be exposed in Python. The new property types are added in a the namespaceprovisional
to indicate that they aren't the intended final versions of those definitions.