mphowardlab/relentless

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Computational materials design, with less code.

Stars: 13
Forks: 1
Open beginner issues: 0
Indexed issues: 18

Dominant language: Python
License: BSD-3-Clause
Last GitHub push: Sep 4, 2026
Latest indexed: Sep 19, 2026
Contributing guide: No contributing guide
Code of conduct: No code of conduct
Beginner labels: good first issue
PR merge metrics: No merged PRs in 30d

Beginner friendly Everything

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18 open issues indexed

Treat warnings as errors in unittests Open

Difficulty 2/5 1-3 hours Newbie friendliness 64/100

mphowardlab/relentless#331 · Opened Sep 4, 2026
Advertise with LAMMPS Open

Difficulty 2/5 1-3 hours Newbie friendliness 72/100

mphowardlab/relentless#330 · Opened Aug 28, 2026
Write Adam parameters to file Open

good first issue

Difficulty 4/5 3-5 days Newbie friendliness 45/100

mphowardlab/relentless#323 · Opened Jun 30, 2026
Rearrange barostat arguments for Langevin Dynamics during next major revision Open

Difficulty 4/5 3-5 days Newbie friendliness 35/100

mphowardlab/relentless#235 · Opened Feb 12, 2024
Add box resizing to MD integrators Open

mphowardlab/relentless#233 · 1 assignee · Opened Feb 5, 2024
`relentless.simulate.InitializeRandomly` fails to raise "Failed to randomly pack this box" error in MPI Open

mphowardlab/relentless#227 · 1 comment · 1 assignee · Opened Nov 22, 2023
Revisit test and publish workflows Open

Difficulty 4/5 3-5 days Newbie friendliness 30/100

mphowardlab/relentless#226 · 2 comments · Opened Nov 16, 2023
Document how to use mpi4py to avoid deadlock Open

good first issue

Difficulty 3/5 1-2 days Newbie friendliness 35/100

mphowardlab/relentless#221 · 1 comment · Opened Aug 7, 2023
Remove directory from objective function result Open

Difficulty 2/5 1-3 hours Newbie friendliness 35/100

mphowardlab/relentless#218 · Opened Jul 27, 2023
Scrub temporary data and files from simulation output Open

Difficulty 3/5 1-2 days Newbie friendliness 42/100

mphowardlab/relentless#217 · Opened Jul 27, 2023
Clarify `GradientTest` for constrained variables Open

good first issue

Difficulty 2/5 1-3 hours Newbie friendliness 45/100

mphowardlab/relentless#213 · Opened May 18, 2023
Allow analyzers to be invoked multiple times Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

mphowardlab/relentless#202 · Opened Apr 13, 2023
Implement Packmol as an option for random initialization Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

mphowardlab/relentless#186 · Opened Mar 7, 2023
Use variable name rather than variable object Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

mphowardlab/relentless#184 · Opened Mar 6, 2023
Refactor variable graph to use weak references Open

Difficulty 4/5 3-5 days Newbie friendliness 35/100

mphowardlab/relentless#183 · Opened Mar 3, 2023
Accept a single string for a tuple of types Open

good first issue

Difficulty 2/5 1-3 hours Newbie friendliness 55/100

mphowardlab/relentless#179 · Opened Mar 3, 2023
Add tools to make target ensembles Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

mphowardlab/relentless#104 · 1 comment · Opened Sep 8, 2022
Document everything and build with sphinx Open

Difficulty 5/5 Over a week Newbie friendliness 20/100

mphowardlab/relentless#2 · 3 comments · Opened Dec 19, 2019

mphowardlab/relentless

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