Skip to content

Issues: eljost/pysisyphus

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
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

Issues list

Geo. Opt. in redundant coordinates
#309 opened Aug 16, 2024 by sespic
Help with AFIR calculation
#292 opened Feb 18, 2024 by danstine
rx_modes not detected
#275 opened Oct 30, 2023 by rayzhel
Adding a new calculator
#248 opened Apr 25, 2023 by baumeier
how to use keywords with pyscf
#247 opened Mar 24, 2023 by small-bamboo
Preoptimization & AFIR enhancement
#219 opened Aug 22, 2022 by eljost
pysisplot --render_cdds
#212 opened May 20, 2022 by ptrab
Recursive Micro-Cycle Scheme
#211 opened May 19, 2022 by sheepforce
Dimer run
#204 opened Apr 22, 2022 by faridf
NEB bug
#198 opened Mar 24, 2022 by Kr0n0ss
Optimizers convergence thresholds
#196 opened Mar 12, 2022 by Kr0n0ss
Visualization of Normal Modes
#194 opened Mar 10, 2022 by Kr0n0ss
Example for solvated barrier calculation
#188 opened Feb 21, 2022 by eljost
Refactor using() in testing.py
#186 opened Feb 16, 2022 by eljost
reading grad.npy (psi4)
#182 opened Feb 14, 2022 by sunghwan-choi
ProTip! Find all open issues with in progress development work with linked:pr.