Skip to content

Issues: TinkerTools/tinker9

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

18 Open 150 Closed
18 Open 150 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

Query: Running simulation with external parameters
#256 opened Oct 14, 2024 by CallumFrEllis
5
Conformations in GPU
#255 opened Aug 1, 2024 by dmitriys566
Tinker9 Does not print denisity as well Temperature
#253 opened Jun 17, 2024 by heman3333
Tinker9 giving INDUCED dipoles not converged even when Tinker8 works fine
#252 opened Jun 7, 2024 by ronnie247
Spatial::LSTCAP
#246 opened Mar 11, 2024 by mayank-kohli
1
SAVE-CYCLE not working in TINKER9
#244 opened Feb 12, 2024 by jacekkozuch
Tinker9 issue
#243 opened Dec 13, 2023 by petraskun
1
Restraining Bond Orientation
#242 opened Dec 6, 2023 by cdpoon
don't print out temperature during nvt ensemble simulation
#238 opened Nov 7, 2023 by Cynthia-0807
5
No charge-charge interaction calculation
#235 opened Sep 21, 2023 by mircodaniel
1
GPU for tinker scan
#228 opened Jun 1, 2023 by tiny-ynn
possible for python API ?
#220 opened Mar 28, 2023 by thangckt
Some very simple documentation requests
#219 opened Mar 21, 2023 by markyoder
3
clean up Potent::REPULS because Tinker8 now calls it Potent::REPEL cleanup Less is more
#216 opened Feb 21, 2023 by zhi-wang
@zhi-wang
Clean up code and docs for UREYBRADTERM which used to be UREYTERM Bug! Bug cleanup Less is more
#215 opened Feb 20, 2023 by zhi-wang
@zhi-wang
1
Charge transfer energy does not agree between two versions of code
#214 opened Feb 20, 2023 by leucinw
@roseane-reis
1
Improve aplus help wanted Extra attention is needed improvement Requests for improvement
#192 opened Apr 9, 2022 by zhi-wang
2 tasks
3
HIPPO Documentation help wanted Extra attention is needed
#120 opened Jan 8, 2021 by zhi-wang v1.1.0
@jayponder @roseane-reis
ProTip! Mix and match filters to narrow down what you’re looking for.