Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / FitSNAP/FitSNAP issues and pull requests
#259 - FitSNAP Documentation
Issue -
State: open - Opened by hb20245 about 1 month ago
#258 - Collected FitSNAP small fixes and updates, Aug. 2024
Issue -
State: open - Opened by megmcca about 2 months ago
- 2 comments
#257 - small update to mcmc solver output files
Pull Request -
State: open - Opened by ldwillia 2 months ago
- 6 comments
#256 - ACE documentation?
Issue -
State: open - Opened by azizabogoda 2 months ago
- 2 comments
#255 - Check FitSNAP calculation precision for Numpy 2.0 compatibility (future-proofing)
Issue -
State: open - Opened by megmcca 2 months ago
#254 - Update ACE output for Numpy 2.0 compatibility with JSON serializer
Pull Request -
State: closed - Opened by megmcca 2 months ago
- 1 comment
#253 - updated MCMC solver to current solver template
Pull Request -
State: closed - Opened by ldwillia 3 months ago
#252 - Reduce memory overhead for large parallel ACE and minor label fix for ACE coefficient output
Pull Request -
State: closed - Opened by jmgoff 5 months ago
- 3 comments
#251 - Update scrape.py for deprecated random.shuffle args
Pull Request -
State: closed - Opened by megmcca 6 months ago
#250 - 'GROUP' section in input file of FitSNAP
Issue -
State: closed - Opened by 1997sankha 8 months ago
- 1 comment
#249 - MPI Communicators not released when FitSnap is destroyed
Issue -
State: open - Opened by perez-danny 8 months ago
- 1 comment
#248 - Quick patch for PyTorch solver fix
Pull Request -
State: closed - Opened by jmgoff 9 months ago
- 2 comments
#247 - quick fix for PyTorch fits
Pull Request -
State: closed - Opened by jmgoff 9 months ago
#246 - update install doc following lammps update
Pull Request -
State: closed - Opened by jmgoff 10 months ago
#245 - Parallel elastic testing
Pull Request -
State: open - Opened by ldwillia 11 months ago
- 2 comments
#244 - Fix output bug in genetic_algorithm example
Pull Request -
State: closed - Opened by megmcca 11 months ago
- 3 comments
#243 - Adding in a prototype of elastic constant test to genetic algo script
Pull Request -
State: open - Opened by ldwillia 11 months ago
- 2 comments
#242 - [Docs] Update link to Cusentino et. al.
Pull Request -
State: closed - Opened by jan-janssen 11 months ago
#241 - Update script_optimize.py in genetic algo
Pull Request -
State: closed - Opened by ldwillia 12 months ago
- 1 comment
#240 - How to fit a multi component SNAP potential using the Python interface?
Issue -
State: closed - Opened by jan-janssen 12 months ago
- 4 comments
#239 - Minor I/O fixes and improvements
Pull Request -
State: closed - Opened by megmcca about 1 year ago
- 5 comments
#238 - update b basis to tabulated and ACE bzeroflag bugfix
Pull Request -
State: closed - Opened by jmgoff about 1 year ago
- 1 comment
#237 - Parallel genetic algorithm (with some other stuff)
Pull Request -
State: closed - Opened by megmcca about 1 year ago
#236 - Transpose trick example, add multinode capability
Pull Request -
State: closed - Opened by megmcca about 1 year ago
#235 - Collected changes
Pull Request -
State: closed - Opened by rohskopf about 1 year ago
- 2 comments
#234 - Minor bug fixes to GA
Pull Request -
State: closed - Opened by megmcca about 1 year ago
#233 - adding stress optimization and initial weight usage to genetic algo (WIP)
Pull Request -
State: closed - Opened by ldwillia about 1 year ago
- 3 comments
#232 - Functional code, ParallelTools small updates, and docs
Pull Request -
State: closed - Opened by rohskopf about 1 year ago
- 3 comments
#231 - Refactor genetic_algorithm example
Pull Request -
State: closed - Opened by megmcca about 1 year ago
- 1 comment
#230 - Fix GASNAP with some examples.
Issue -
State: closed - Opened by rohskopf about 1 year ago
- 2 comments
#229 - Upgrade to Python 3.11
Issue -
State: open - Opened by rohskopf about 1 year ago
#228 - fix smartweights stress bug
Pull Request -
State: closed - Opened by megmcca about 1 year ago
#227 - small updates to tools, pace output
Pull Request -
State: closed - Opened by megmcca about 1 year ago
#226 - VASP scraper
Issue -
State: open - Opened by rohskopf about 1 year ago
Labels: bug
#224 - Collected changes
Pull Request -
State: closed - Opened by rohskopf about 1 year ago
- 1 comment
#223 - fix group variable extract
Pull Request -
State: closed - Opened by megmcca about 1 year ago
#222 - Number of angular momenta in 4-body ACE coefficient
Issue -
State: closed - Opened by IlgarBaghishov about 1 year ago
- 5 comments
Labels: question
#221 - auto_fit_this.py in Ta_PACE examples are broken
Issue -
State: closed - Opened by swyant over 1 year ago
- 3 comments
#220 - Collected changes
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
#219 - Add functionality to ignore ase atoms without energy, forces, stress …
Pull Request -
State: closed - Opened by mgt16-LANL over 1 year ago
#218 - Collected changes
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
#217 - Fix transpose trick example
Issue -
State: closed - Opened by rohskopf over 1 year ago
Labels: bug
#216 - added input file to settings dictionary tool
Pull Request -
State: closed - Opened by ldwillia over 1 year ago
#215 - Minor changes
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
#214 - auto-update of dependent settings in library mode editing of config?
Issue -
State: closed - Opened by ldwillia over 1 year ago
- 5 comments
#213 - Refactor library API
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
#212 - MLIAP Unified Interface
Pull Request -
State: open - Opened by rohskopf over 1 year ago
- 2 comments
Labels: enhancement
#211 - Preconditioners for scalapack
Issue -
State: open - Opened by rohskopf over 1 year ago
Labels: enhancement
#210 - Fix scalapack bugs
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
Labels: bug-fix
#209 - Genetic algorithm optimizers
Pull Request -
State: closed - Opened by jmgoff over 1 year ago
Labels: enhancement
#208 - Allow non-jsons in training directories
Pull Request -
State: closed - Opened by elsikorski over 1 year ago
- 1 comment
Labels: enhancement
#207 - Importance sampling for NN training
Pull Request -
State: open - Opened by rohskopf over 1 year ago
Labels: enhancement
#205 - Bring back scalapack
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
- 3 comments
#204 - Fix ScaLAPACK solver
Issue -
State: closed - Opened by rohskopf over 1 year ago
- 2 comments
Labels: bug
#203 - for minimal conda install, update to 3.10
Pull Request -
State: closed - Opened by megmcca over 1 year ago
#202 - fix training group name extraction from input file
Pull Request -
State: closed - Opened by megmcca over 1 year ago
#201 - fix training group name extraction from input file
Pull Request -
State: closed - Opened by megmcca over 1 year ago
- 1 comment
#200 - updated ACE examples and hyperparameter inputs
Pull Request -
State: closed - Opened by jmgoff over 1 year ago
- 2 comments
Labels: enhancement
#199 - Dump pickled list of Configuration objects for model reuse.
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
#198 - Fix paper reference
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
- 1 comment
#197 - Fix paper affiliations
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
#196 - Fix paper DOI
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
#195 - Write pickled configuration list when calculating descriptors for NNs
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
- 1 comment
#194 - Illustrate UQ example
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
#193 - JOSS Review example for uncertainty qualification (UQ)
Issue -
State: closed - Opened by bahung over 1 year ago
- 1 comment
Labels: enhancement
#192 - Update tutorial to Python 3.9
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
#191 - Code linting and formatting
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
- 1 comment
#190 - Collected changes
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
- 2 comments
#189 - Dependencies
Issue -
State: closed - Opened by jan-janssen over 1 year ago
- 7 comments
Labels: documentation
#188 - No module named 'mliap_model_python_couple_kokkos'
Issue -
State: open - Opened by hoba87 over 1 year ago
- 15 comments
Labels: bug
#187 - Collected changes
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
- 2 comments
#186 - JOSS Review Optional: ASE/pymatgen Scrappers
Issue -
State: closed - Opened by tpurcell90 over 1 year ago
- 2 comments
#185 - JOSS Review: Warnings when bulding LAMMPS
Issue -
State: closed - Opened by tpurcell90 over 1 year ago
- 2 comments
Labels: documentation
#184 - JOSS Review: Collab notebook Failure
Issue -
State: closed - Opened by tpurcell90 over 1 year ago
- 2 comments
#183 - JOSS Review: Tests Fail when Using Intel MPI (OneAPI version 2021.6.0)
Issue -
State: closed - Opened by tpurcell90 over 1 year ago
- 2 comments
#182 - JOSS Review: Linting to Enforce coding standards
Issue -
State: closed - Opened by tpurcell90 over 1 year ago
- 2 comments
Labels: enhancement
#181 - JOSS Review: Add Boolean Flags for input files
Issue -
State: closed - Opened by tpurcell90 over 1 year ago
- 2 comments
#180 - JOSS Review: Adding a setup.py script to install FitSNAP
Issue -
State: closed - Opened by tpurcell90 over 1 year ago
- 2 comments
Labels: enhancement
#179 - Don't store all model forces for NN error analysis
Issue -
State: closed - Opened by rohskopf over 1 year ago
- 1 comment
Labels: enhancement
#178 - adding Fe quadratic fit potential files
Pull Request -
State: closed - Opened by snikolov3 over 1 year ago
- 3 comments
#177 - Allow optional deployment to LAMMPS with GPU
Issue -
State: closed - Opened by rohskopf over 1 year ago
Labels: enhancement
#176 - Collected changes
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
- 1 comment
#175 - Error with using Pytorch
Issue -
State: closed - Opened by hoba87 over 1 year ago
- 6 comments
#174 - NN error metric file format
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
#173 - Fix rcutfac
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
#172 - Detailed errors for nonlinear models
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
- 2 comments
#171 - Add ML-IAP sinner/dinner settings
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
#170 - Write potential files and more
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
- 4 comments
#169 - No Sphinx documentation for command-line options
Issue -
State: closed - Opened by athomps over 1 year ago
- 2 comments
Labels: documentation
#168 - Reference potential not echoed in FitSNAP output
Issue -
State: closed - Opened by athomps over 1 year ago
- 7 comments
Labels: enhancement
#167 - Different stress/atom-type in multi-element systems.
Issue -
State: closed - Opened by Rana-Phy over 1 year ago
- 2 comments
#166 - Dataframe plotting options
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
#165 - Updating bayesian active learning script
Pull Request -
State: closed - Opened by ldwillia over 1 year ago
Labels: enhancement
#164 - Collected changes
Pull Request -
State: closed - Opened by rohskopf over 1 year ago
- 1 comment
#163 - Doc paper updates
Pull Request -
State: closed - Opened by rohskopf almost 2 years ago
#162 - Minor updates
Pull Request -
State: closed - Opened by rohskopf almost 2 years ago
#161 - Adding fitsnap library active learning example
Pull Request -
State: closed - Opened by ldwillia almost 2 years ago
- 6 comments
#160 - updating solver.error_analysis() to .groupby.apply() and adding test/train split
Pull Request -
State: closed - Opened by ldwillia almost 2 years ago
#159 - Collected changes
Pull Request -
State: closed - Opened by rohskopf almost 2 years ago
#158 - dump_a() cannot be a static method as it is accessing the shared_arrays
Pull Request -
State: closed - Opened by jan-janssen almost 2 years ago