Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / uf3/uf3 issues and pull requests
#127 - Update versions of Github actions in the unit test workflow file
Pull Request -
State: open - Opened by sunghjung3 27 days ago
#126 - Running UF3 for binary alloy
Issue -
State: closed - Opened by circs about 2 months ago
- 3 comments
#125 - Temporarily pin Numpy to <=1.26.4, and replace Python 3.8 support with Python 3.12
Pull Request -
State: closed - Opened by sunghjung3 3 months ago
- 1 comment
#124 - UF3-LAMMPS: currently not possible to have NULL element mapping
Issue -
State: open - Opened by Fraser-Birks 3 months ago
- 1 comment
#123 - Script to generate LAMMPS potential file is incorrect on main
Issue -
State: closed - Opened by Fraser-Birks 3 months ago
- 2 comments
#122 - Update README.rst
Pull Request -
State: closed - Opened by monk-04 3 months ago
#121 - Update generate_uf3_lammps_pots.py to create a unified potential file as expected by LAMMPS
Pull Request -
State: closed - Opened by tawe141 3 months ago
- 2 comments
#120 - Energies mismatch between LAMMPS and Python
Issue -
State: closed - Opened by Fraser-Birks 3 months ago
- 5 comments
#119 - Partial 3-body terms
Issue -
State: open - Opened by tawe141 3 months ago
- 7 comments
#118 - Separate leading and trailing trims for 2 and 3 body
Pull Request -
State: open - Opened by sunghjung3 4 months ago
- 3 comments
#117 - Skip ghost atoms with no real neighbors in force featurization
Pull Request -
State: open - Opened by sunghjung3 4 months ago
- 7 comments
#116 - Cutoff fix
Pull Request -
State: closed - Opened by sunghjung3 4 months ago
- 6 comments
#115 - initial implementation of saving gram and subsequent training
Pull Request -
State: open - Opened by michaelmacisaac 5 months ago
- 6 comments
#114 - Fixed the doi link readme.rst
Pull Request -
State: closed - Opened by monk-04 5 months ago
- 1 comment
#113 - UF3 Lammps code update, script fix and documentation update
Pull Request -
State: closed - Opened by monk-04 6 months ago
- 2 comments
#112 - Update readme.rst
Pull Request -
State: closed - Opened by monk-04 6 months ago
#111 - fixes uf3/uf3#108
Pull Request -
State: closed - Opened by monk-04 7 months ago
- 2 comments
#110 - improve compatibility of UFCalculator with ASE
Pull Request -
State: closed - Opened by sunghjung3 8 months ago
- 7 comments
#109 - Computation terminated due to insufficient memory
Issue -
State: closed - Opened by gswylq 8 months ago
- 6 comments
#108 - Improper checking of cutoff conditions in LAMMPS interface
Issue -
State: closed - Opened by sxie22 10 months ago
- 2 comments
Labels: bug
#107 - Add regularizers to model.json file
Pull Request -
State: open - Opened by samdong2101 10 months ago
Labels: enhancement
#106 - Regularizers in json
Pull Request -
State: closed - Opened by samdong2101 10 months ago
- 1 comment
#105 - Updates to Lammps implementation
Pull Request -
State: closed - Opened by monk-04 10 months ago
Labels: enhancement
#104 - Write hyperparameters to json file
Issue -
State: open - Opened by samdong2101 10 months ago
- 3 comments
Labels: enhancement
#103 - Fixing incompatibility issue with LAMMPS-2Aug2023
Pull Request -
State: closed - Opened by monk-04 11 months ago
- 4 comments
#102 - LAMMPS Incompatabilty (MARCH 2023)
Issue -
State: closed - Opened by JasonGibsonUfl 11 months ago
- 2 comments
Labels: bug
#101 - New LAMMPS input format produces incorrect file readings
Issue -
State: closed - Opened by henk789 11 months ago
- 11 comments
Labels: bug
#100 - Uf3mag
Pull Request -
State: closed - Opened by Meow7Meow7 11 months ago
- 1 comment
#99 - Uf3mag
Pull Request -
State: closed - Opened by monk-04 11 months ago
#98 - Update reference to first UF3 paper (npj computational materials).
Issue -
State: closed - Opened by sxie22 11 months ago
- 3 comments
Labels: documentation
#97 - Update setup.py
Pull Request -
State: closed - Opened by JasonGibsonUfl 11 months ago
- 1 comment
#96 - Lammps UF3 bug fix
Pull Request -
State: closed - Opened by monk-04 12 months ago
Labels: enhancement
#95 - Regulariztion bugfix
Pull Request -
State: closed - Opened by sunghjung3 12 months ago
- 3 comments
#94 - Singlepoint training
Pull Request -
State: closed - Opened by sunghjung3 12 months ago
#93 - fix loss function weights and regularizer bug (redo)
Pull Request -
State: closed - Opened by sunghjung3 12 months ago
- 3 comments
#92 - Revert "fix loss function weights and regularizer bug"
Pull Request -
State: closed - Opened by sxie22 12 months ago
- 4 comments
#91 - Merging master to dev
Pull Request -
State: closed - Opened by monk-04 12 months ago
#90 - Added uniform/non-unifrom feature to UF3 LAMMPS
Pull Request -
State: closed - Opened by monk-04 12 months ago
- 4 comments
Labels: enhancement
#89 - Because of numerical precision, knots produced for different cutoffs with same knot spacing are not equal
Issue -
State: closed - Opened by monk-04 about 1 year ago
- 2 comments
#88 - Update uf3_pair_bspline.cpp
Pull Request -
State: closed - Opened by monk-04 about 1 year ago
- 1 comment
#87 - No return statement for memory_usage() of uf3_pair_bspline.cpp
Issue -
State: closed - Opened by monk-04 about 1 year ago
- 1 comment
#86 - Added drop_columns feature; usefull for optimizing cutoffs
Pull Request -
State: closed - Opened by monk-04 about 1 year ago
- 6 comments
Labels: enhancement
#85 - fix loss function weights and regularizer bug
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
- 2 comments
#84 - Merge element_ordering to `develop`
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
#83 - Merge Symmetry_updates to `develop`
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
- 3 comments
#82 - Merge singlepoint_training into master
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
- 1 comment
#81 - Merge code_documentation branch to master
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
#80 - Predictable element and interaction tuple ordering (part 2)
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
#79 - Code changes in LAMMPS implementation to fix the 3B symmetry
Pull Request -
State: closed - Opened by monk-04 about 1 year ago
- 1 comment
#78 - BSplineBasis r_cut fix
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
#77 - More easier-to-read generate_triplets() after switch to atomic number sorting
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
#76 - Minor documentation fix
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
#75 - Fix to elusive bug in singlepoint training.
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
#74 - Predictable element and interaction tuple ordering (part 1)
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
- 1 comment
#73 - generate_triplets() bug fix (pull request #61) not guaranteed to work properly
Issue -
State: closed - Opened by sunghjung3 about 1 year ago
- 4 comments
#72 - Doc fixes
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
- 2 comments
#71 - Update singlepoint_training from master
Pull Request -
State: closed - Opened by monk-04 about 1 year ago
#70 - Update element_ordering from master
Pull Request -
State: closed - Opened by monk-04 about 1 year ago
#69 - UFcalculator energies and energy calculated directly from features don't match
Issue -
State: open - Opened by monk-04 about 1 year ago
- 3 comments
#68 - Symmetry updates
Pull Request -
State: closed - Opened by monk-04 about 1 year ago
- 3 comments
#67 - Added unit test to check the representation
Pull Request -
State: closed - Opened by monk-04 about 1 year ago
- 1 comment
Labels: enhancement
#66 - Symmetry updates
Pull Request -
State: closed - Opened by JasonGibsonUfl about 1 year ago
- 4 comments
#65 - Doc fixes
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
- 1 comment
Labels: documentation
#64 - Symmetry updates
Pull Request -
State: closed - Opened by monk-04 about 1 year ago
#63 - When pauling electronegativity of two elements is same, interaction tuples produced are not unique
Issue -
State: closed - Opened by monk-04 about 1 year ago
- 2 comments
Labels: bug
#62 - add unit test for when binary system contains equal electronegativity
Pull Request -
State: closed - Opened by JasonGibsonUfl about 1 year ago
- 4 comments
#61 - generate_triplets bug fix
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
- 8 comments
Labels: bug
#60 - symmetry bug fix
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
- 9 comments
Labels: bug
#59 - Triangle bugfix
Pull Request -
State: closed - Opened by sunghjung3 about 1 year ago
- 1 comment
#58 - Update README.rst
Pull Request -
State: closed - Opened by monk-04 about 1 year ago
#57 - Update README.rst
Pull Request -
State: closed - Opened by monk-04 about 1 year ago
#56 - Uf3 lammps cpu
Pull Request -
State: closed - Opened by monk-04 about 1 year ago
- 1 comment
Labels: enhancement
#55 - Update tests.yml
Pull Request -
State: closed - Opened by sxie22 about 1 year ago
#54 - Update tests.yml
Pull Request -
State: closed - Opened by sxie22 about 1 year ago
#53 - Small Bugs in export_tabulated_potential
Issue -
State: open - Opened by pmrv about 1 year ago
#52 - Incorrect energy_weight and regularizer defination
Issue -
State: closed - Opened by monk-04 about 1 year ago
- 4 comments
Labels: bug
#51 - How to tabulate three body contributions?
Issue -
State: closed - Opened by pmrv about 1 year ago
- 2 comments
#50 - Update Python versions in testing workflow
Issue -
State: open - Opened by sxie22 about 1 year ago
#49 - Update scikit-learn dependency
Pull Request -
State: closed - Opened by pmrv about 1 year ago
#48 - Radial Cutoff (outer hyperparameter) Optimization
Pull Request -
State: closed - Opened by monk-04 over 1 year ago
- 2 comments
Labels: enhancement
#47 - Google Colab for Tungsten Demo
Issue -
State: closed - Opened by rhennig over 1 year ago
- 1 comment
#46 - Trajectory file cannot be written with UFCalculator
Issue -
State: closed - Opened by sunghjung3 over 1 year ago
- 1 comment
#44 - Update UFCalculator class
Pull Request -
State: open - Opened by thomasbischoff over 1 year ago
#43 - default regularization parameters in the documentation
Issue -
State: open - Opened by paprakash over 1 year ago
- 1 comment
#42 - Inner hyperparameter optimization
Pull Request -
State: closed - Opened by paprakash over 1 year ago
#41 - sample_weights has nonlinear effect on the fit
Issue -
State: open - Opened by sxie22 over 1 year ago
#40 - Bump setup.py version
Pull Request -
State: closed - Opened by henk789 about 2 years ago
#39 - Fix MANIFEST.in typo
Pull Request -
State: closed - Opened by henk789 about 2 years ago
#38 - Prepeare first PyPi release
Pull Request -
State: closed - Opened by henk789 about 2 years ago
#37 - Add improved slice visualization for three-body visualization and not…
Pull Request -
State: closed - Opened by sxie22 about 2 years ago
#36 - [WIP] Command line interface
Pull Request -
State: closed - Opened by henk789 about 2 years ago
#35 - UF3 PyPi Setup
Pull Request -
State: closed - Opened by henk789 about 2 years ago
#34 - Bump package version
Pull Request -
State: closed - Opened by henk789 about 2 years ago
#33 - Gather changes for v0.3.0 release
Pull Request -
State: closed - Opened by henk789 about 2 years ago
#32 - Rename 3B compress loading parameter
Pull Request -
State: closed - Opened by henk789 about 2 years ago
#31 - Fix multi-component pair and triplet building
Pull Request -
State: closed - Opened by henk789 about 2 years ago
#30 - Multicomponent three-body contributions wrong with PBC
Issue -
State: closed - Opened by henk789 about 2 years ago
- 1 comment
#29 - Apply fixed flat_weights when loading coefficients
Pull Request -
State: closed - Opened by henk789 about 2 years ago
#28 - Model coefficients after loading models incorrect
Issue -
State: closed - Opened by henk789 about 2 years ago
- 1 comment
#27 - Sort pair hashes by electronegativity
Pull Request -
State: closed - Opened by henk789 about 2 years ago