Ecosyste.ms: Issues

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GitHub / lanl/hippynn issues and pull requests

#39 - Allow variable stepping APIs for different optimizers

Pull Request - State: closed - Opened by lubbersnick over 1 year ago

#38 - mliap interface works with hipnn-coulomb architecture

Pull Request - State: closed - Opened by sakibmatin over 1 year ago - 4 comments

#37 - Variable inner loops for different optimizers

Issue - State: closed - Opened by lubbersnick over 1 year ago
Labels: enhancement

#36 - Easy training restarts

Issue - State: open - Opened by lubbersnick over 1 year ago - 1 comment
Labels: enhancement

#35 - add NotImplementedError for set_e0_values when using custom InputNodes

Pull Request - State: closed - Opened by EShinkle1 over 1 year ago

#34 - Switch git clone url from ssh to https in docs

Pull Request - State: closed - Opened by tautomer over 1 year ago

#33 - Generalize ASE DB import.

Pull Request - State: closed - Opened by mgt16-LANL over 1 year ago - 8 comments

#32 - unnecessary index type constraint for vectors (#31)

Pull Request - State: closed - Opened by lubbersnick almost 2 years ago

#31 - unnecessary index type constraint for vectors

Pull Request - State: closed - Opened by lubbersnick almost 2 years ago

#30 - Added database options to remove outlier data

Pull Request - State: closed - Opened by bnebgen-LANL almost 2 years ago

#29 - Adjustments to ase_interface:

Pull Request - State: closed - Opened by bnebgen-LANL almost 2 years ago

#28 - Fix a bug in setting up custom kernels

Pull Request - State: closed - Opened by tautomer almost 2 years ago

#27 - Initial version of lammps interface compatible with kokkos

Pull Request - State: closed - Opened by lubbersnick almost 2 years ago

#26 - Filters for Pair Indexers

Pull Request - State: closed - Opened by sakibmatin about 2 years ago - 1 comment

#25 - CombineScreenings Module

Pull Request - State: closed - Opened by sakibmatin about 2 years ago

#24 - Add versioneer to get version from git tags

Pull Request - State: closed - Opened by jan-janssen about 2 years ago - 2 comments

#23 - Merge 0.0.1 from development back to main

Pull Request - State: closed - Opened by lubbersnick about 2 years ago

#22 - Fix email address to work with pypi

Pull Request - State: closed - Opened by jan-janssen about 2 years ago

#21 - [WIP] Fix restart & multi-target dipole

Pull Request - State: closed - Opened by tautomer about 2 years ago - 3 comments

#20 - Bens bugfix

Pull Request - State: closed - Opened by bnebgen-LANL about 2 years ago

#19 - Bens bugfix

Pull Request - State: closed - Opened by bnebgen-LANL about 2 years ago

#18 - Fix settings and low distance warning

Pull Request - State: closed - Opened by tautomer about 2 years ago - 1 comment

#17 - Auto build docs via Actions

Pull Request - State: closed - Opened by tautomer about 2 years ago - 4 comments

#16 - 'Glue-on' Method for damping Coulomb Interactions Locally.

Pull Request - State: closed - Opened by sakibmatin about 2 years ago - 4 comments

#15 - Fix a optimizer device problem

Pull Request - State: closed - Opened by tautomer over 2 years ago - 2 comments

#14 - Proper device handling for restart

Pull Request - State: closed - Opened by tautomer over 2 years ago - 9 comments

#13 - Transparent plot, doc update, and some misc updates

Pull Request - State: closed - Opened by tautomer over 2 years ago - 1 comment

#12 - Fix a problem with torch RNG when restarting

Pull Request - State: closed - Opened by tautomer over 2 years ago - 11 comments

#11 - Update calculator.py

Pull Request - State: closed - Opened by bnebgen-LANL over 2 years ago

#10 - LAMMPS ML-IAP Interface

Pull Request - State: closed - Opened by Boogie3D over 2 years ago - 4 comments

#9 - Environment variable HIPPYNN_PROGRESS not handled correctly

Pull Request - State: closed - Opened by tautomer over 2 years ago

#8 - Allow HIPNN to work with ASE Mixing Calculators

Pull Request - State: closed - Opened by MChigaev over 2 years ago

#7 - Fixed missing parenthesis.

Pull Request - State: closed - Opened by sakibmatin over 2 years ago

#6 - Change model.pkl to model.pt, as models now save as .pt

Pull Request - State: closed - Opened by MChigaev over 2 years ago

#4 - Add ase database parser.

Pull Request - State: closed - Opened by mgt16 almost 3 years ago - 2 comments

#3 - ASE calculator fix

Pull Request - State: closed - Opened by jan-janssen almost 3 years ago - 1 comment

#2 - Simplify the installation

Pull Request - State: closed - Opened by jan-janssen about 3 years ago - 1 comment

#1 - [Feature Request] Upload library to a package index

Issue - State: closed - Opened by SauravMaheshkar about 3 years ago