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18 Open 150 Closed
18 Open 150 Closed
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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! What’s not been updated in a month: updated:<2024-11-21.