-
Notifications
You must be signed in to change notification settings - Fork 13
Issues: Luthaf/rascaline
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Author
Label
Projects
Milestones
Assignee
Sort
Issues list
Allow a subset of dimensions to be passed to
selected_keys
argument in base calculators
#321
opened Aug 4, 2024 by
jwa7
clebsch_gordan
: extend what can be passed to selected_keys
enhancement
#312
opened Jun 14, 2024 by
jwa7
Add a tutorial about "how to get fixed size output from rascaline"
documentation
Improvements or additions to documentation
#310
opened Jun 6, 2024 by
Luthaf
Document the convention used for metatensor labels
calculators
Work on the representation/fingerprint functions.
documentation
Improvements or additions to documentation
#302
opened Apr 25, 2024 by
Luthaf
Documenting examples where Improvements or additions to documentation
Python
Issues related to the Python API
utils.clebsch_gordan
is used to perform custom calculations of power spectrum, etc.
documentation
#300
opened Apr 19, 2024 by
SanggyuChong
Add explanation section on how we compute radial integrals
documentation
Improvements or additions to documentation
#299
opened Apr 15, 2024 by
PicoCentauri
Evaluate a splined radial basis
Python
Issues related to the Python API
#287
opened Mar 4, 2024 by
sirmarcel
Add a way to convert from other package hypers to rascaline
calculators
Work on the representation/fingerprint functions.
documentation
Improvements or additions to documentation
#264
opened Dec 14, 2023 by
Luthaf
Atom weighting
calculators
Work on the representation/fingerprint functions.
enhancement
Implementation of new features
#261
opened Nov 15, 2023 by
ceriottm
Start a doc page listing papers using rascaline
documentation
Improvements or additions to documentation
#255
opened Nov 3, 2023 by
Luthaf
Future directions for CG iterations
calculators
Work on the representation/fingerprint functions.
Python
Issues related to the Python API
#239
opened Sep 28, 2023 by
jwa7
10 tasks
For all current calculators, implement the option to return only metadata
C / C++
Issues related to the C and C++ API
Python
Issues related to the Python API
#238
opened Sep 28, 2023 by
jwa7
Add example of how to use rascaline-torch
Torch
Issues related to the Torch API
#225
opened Sep 4, 2023 by
Luthaf
Collect code coverage for the Torch code
Torch
Issues related to the Torch API
#219
opened Aug 17, 2023 by
Luthaf
PowerSpectrum
TensorMap can not be fully merged in a single block
Python
#213
opened Aug 4, 2023 by
PicoCentauri
Helper functions for species selection/conversion
Python
Issues related to the Python API
#190
opened May 30, 2023 by
Luthaf
Missing intersphinx links to other packages in how-to tutorials
documentation
Improvements or additions to documentation
Python
Issues related to the Python API
#177
opened Apr 11, 2023 by
Luthaf
How-to on explaining what each calculator is doing
documentation
Improvements or additions to documentation
help wanted
Extra attention is needed
#164
opened Mar 2, 2023 by
PicoCentauri
Type hints for Python functions
documentation
Improvements or additions to documentation
good first issue
Good for newcomers
Python
Issues related to the Python API
#162
opened Feb 26, 2023 by
PicoCentauri
Previous Next
ProTip!
Updated in the last three days: updated:>2024-09-09.