Skip to content

Issues: efposadac/openLOWDIN

Update basis set
#3 opened May 22, 2023 by jacharrym
Open 1
Update copyright
#4 opened May 22, 2023 by efposadac
Open 1
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

36 Open 45 Closed
36 Open 45 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

Effect of two-particles integrals screening tolerance factor bug Something isn't working
#112 opened Dec 28, 2024 by jacharrym
@jacharrym
Bring back Auxiliary DFT
#111 opened Dec 17, 2024 by fsmoncadaa
@fsmoncadaa
Create a workflow with ifort enhancement New feature or request
#110 opened Dec 17, 2024 by fsmoncadaa
@fsmoncadaa
Simplify the calculations with an external polarization potential fix the mess
#108 opened Dec 4, 2024 by jacharrym
@jacharrym
1
Running DFT calculation with other functionals question Further information is requested
#107 opened Dec 4, 2024 by jacharrym
@fsmoncadaa
1
Update NOCI manual help wanted Extra attention is needed
#101 opened Nov 20, 2024 by fsmoncadaa
@fsmoncadaa
Add tests for OMP parallelization enhancement New feature or request
#99 opened Nov 20, 2024 by fsmoncadaa
@fsmoncadaa
Improve omp integral transformation C enhancement New feature or request
#94 opened Oct 3, 2024 by jacharrym
@jacharrym
Fix the single vs double integer precision mess in the code fix the mess help wanted Extra attention is needed
#93 opened Sep 17, 2024 by jacharrym
@jacharrym
Add stop when disk space runs out enhancement New feature or request
#91 opened Sep 17, 2024 by fsmoncadaa
1
Improve printing of PT3 terms enhancement New feature or request fix the mess help wanted Extra attention is needed
#88 opened Aug 28, 2024 by fsmoncadaa
SCF Bug bug Something isn't working
#84 opened Aug 6, 2024 by jacharrym
@jacharrym
3
ep correlation is not evaluated if basis set centers are not equal bug Something isn't working
#78 opened May 14, 2024 by fsmoncadaa
When should we use species%symbol and species%name? fix the mess question Further information is requested
#76 opened Feb 29, 2024 by fsmoncadaa
@fsmoncadaa
1
Diagonal born oppenheimer correction enhancement New feature or request
#75 opened Feb 29, 2024 by fsmoncadaa
Positron annihilation lifetimes enhancement New feature or request help wanted Extra attention is needed
#74 opened Feb 29, 2024 by fsmoncadaa
Fix DIIS bug Something isn't working enhancement New feature or request
#73 opened Feb 29, 2024 by fsmoncadaa
Natural orbitals for MP2 enhancement New feature or request
#72 opened Feb 29, 2024 by fsmoncadaa
Check lapack parallelization bug Something isn't working enhancement New feature or request
#63 opened Feb 12, 2024 by jacharrym
@jacharrym
Unify the format for all tests enhancement New feature or request help wanted Extra attention is needed
#62 opened Feb 12, 2024 by jacharrym
Translate the code to english documentation Improvements or additions to documentation fix the mess help wanted Extra attention is needed wontfix This will not be worked on
#58 opened Feb 8, 2024 by jacharrym
Update header files documentation Improvements or additions to documentation fix the mess help wanted Extra attention is needed
#57 opened Feb 8, 2024 by jacharrym
Add test and example for MM calculations documentation Improvements or additions to documentation help wanted Extra attention is needed
#53 opened Feb 8, 2024 by jacharrym
Check performance with MAQAO enhancement New feature or request help wanted Extra attention is needed
#52 opened Feb 8, 2024 by jacharrym
1
Slater rules for NOCI enhancement New feature or request
#47 opened Dec 5, 2023 by fsmoncadaa
@fsmoncadaa
ProTip! no:milestone will show everything without a milestone.