Skip to content

Issues: RagnarB83/ash

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.

Sign up for GitHub

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

49 Open 71 Closed
49 Open 71 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Oniom with orca/xtb
#439 opened Nov 10, 2024 by quanp
7
Bug & issue report
#431 opened Oct 18, 2024 by Zuttergutao
13
Seminario method or similair
#427 opened Sep 28, 2024 by Erikna00
5
NEB: cleanup
#367 opened Mar 22, 2023 by RagnarB83
Dice interface
#357 opened Jan 30, 2023 by RagnarB83
Timings for composite jobs
#356 opened Jan 30, 2023 by RagnarB83
QMtheories: versions
#355 opened Jan 26, 2023 by RagnarB83
add_atoms_to_system_CHARMM:
#354 opened Jan 12, 2023 by RagnarB83
Enable mechanical embedding for QM/MM gradient
#352 opened Dec 4, 2022 by RagnarB83
Interface to sparrow
#351 opened Nov 30, 2022 by RagnarB83
CBS gradient
#350 opened Nov 30, 2022 by RagnarB83
ONIOM
#349 opened Nov 30, 2022 by RagnarB83
Dalton project
#348 opened Nov 23, 2022 by RagnarB83
NEB
#342 opened Sep 5, 2022 by RagnarB83
Logging
#340 opened Aug 25, 2022 by RagnarB83
geometric interface fixes
#338 opened Aug 21, 2022 by RagnarB83
Model Hessians
#337 opened Aug 20, 2022 by RagnarB83
Singlepoint_fragments
#336 opened Aug 15, 2022 by RagnarB83
1
Locally dense approach
#335 opened Aug 15, 2022 by RagnarB83
Numfreq parallelization
#331 opened Aug 8, 2022 by RagnarB83
PythonCall debugging
#312 opened May 11, 2022 by RagnarB83
1
Defining atom indices lists for large systems
#296 opened Mar 23, 2022 by RagnarB83
OpenMM issue: NPT simulations with frozen atoms give weird water behaviour
#295 opened Mar 23, 2022 by RagnarB83
Automized Oxidation state assignment
#235 opened Feb 1, 2022 by RagnarB83
Singlepoint/theory.run return inconsistency
#201 opened Dec 20, 2021 by RagnarB83
ProTip! Adding no:label will show everything without a label.