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Pull requests: lab-cosmo/librascal

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Pull requests list

Bump jinja2 from 2.11.3 to 3.1.3 dependencies Pull requests that update a dependency file
#432 opened Jan 11, 2024 by dependabot bot Loading…
Atomic/local stress
#421 opened Feb 22, 2023 by agoscinski Loading…
implementation of central and neighbour mask for spherical expansions
#420 opened Feb 22, 2023 by agoscinski Loading…
Bayesian optimization tutorial
#416 opened Aug 4, 2022 by hurricane642 Loading…
2
Bugfix: Overlap matrix had extra normalization
#406 opened May 6, 2022 by kvhuguenin Loading…
2 tasks
2
Preparations for first pypi release
#396 opened Dec 8, 2021 by agoscinski Loading…
3 tasks done
19
Adapt cpp representation input paramaters to the ones on the python side
#376 opened Aug 24, 2021 by agoscinski Loading…
8
Changes for lammps integration
#367 opened Jun 28, 2021 by agoscinski • Draft
7
Rascal json encoder
#366 opened Jun 18, 2021 by agoscinski Loading…
14 tasks
1
@agoscinski
Feat/rkhs
#354 opened May 25, 2021 by ceriottm Loading…
13 tasks
4
Make SOAP initialization more intuitive w.r.t. species lists
#353 opened May 10, 2021 by max-veit • Draft
5 of 10 tasks
1
4
OpenMP test branch
#349 opened May 2, 2021 by ceriottm • Draft
13 tasks
structure sanitation enhancement New feature or request
#323 opened Mar 17, 2021 by felixmusil Loading…
@felixmusil
10
User interface and better solvers for GAP fitting
#305 opened Dec 2, 2020 by max-veit Loading…
1 of 10 tasks
15
Feat/tutorials2
#246 opened Dec 10, 2019 by rosecers • Draft
13 tasks
4
Metadata in json files documentation Needs addtional documentation help wanted Extra attention is needed
#236 opened Dec 3, 2019 by mastricker • Draft
@max-veit
ProTip! What’s not been updated in a month: updated:<2024-11-11.