Releases · lanl/hippynn

Updating to version 0.0.3 . Please note that the minimum python version has been updated to 3.9

What's Changed

mliap interface works with hipnn-coulomb architecture by @sakibmatin in #38
Interface fix by @bnebgen-LANL in #44
add example of how to use pair finding in isolation by @lubbersnick in #40
Allow variable stepping APIs for different optimizers by @lubbersnick in #39
convert fitting of e0 to take place in float64 by @lubbersnick in #46
add example for finding close contacts by @lubbersnick in #47
Lammps null fix by @bnebgen-LANL in #48
Nodes, docs, and an example for excited states by @tautomer in #42
Allow ASE dbs with not all same entries. by @mgt16-LANL in #49
Add fuzzy histogram, pair-finder memory, and KD Tree pair-finder nodes; fix bugs by @EShinkle1 in #50
Added feature for saving checkpoint every certain epochs by @peterli3819 in #51
Fix vecmag class from earlier modification by @bnebgen-LANL in #52
Add MultiGradient node and implement minor improvements and bug fixes for KDTree and Memory nodes by @EShinkle1 in #53
For updating to python 3.9 by @lubbersnick in #56