-
Notifications
You must be signed in to change notification settings - Fork 42
Issues: dftd4/dftd4
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
Label
Projects
Milestones
Assignee
Sort
Issues list
Energy is changing depending on number of OMP_THREADS
bug
Something isn't working
Python
Affects the Python side of this project
#245
opened May 20, 2024 by
zakmachachi
Non-zero D4 interaction energy in dissociation limit
bug
Something isn't working
#223
opened Nov 6, 2023 by
hongzhouye
Segfault when above ~700 atoms using ASE
bug
Something isn't working
#218
opened Oct 14, 2023 by
tgmaxson
Building with meson gives 'lapack' not found error
build
Build system related issues (platform, compilers)
#203
opened May 10, 2023 by
ahmedusm
Use toml-f parser to read parameters.toml
enhancement
New feature or request
#178
opened Oct 14, 2022 by
TyBalduf
Implement general getter for C-API
API
Affects the C-binding layer.
enhancement
New feature or request
#167
opened Jun 17, 2022 by
awvwgk
Wrong dispersion correction for Mg
bug
Something isn't working
#159
opened May 12, 2022 by
KaiSellschopp
Produce QCSchema compatible output if input is QCSchema JSON
enhancement
New feature or request
#144
opened Jan 20, 2022 by
awvwgk
Is the dft4d library only intended to be run with vasp as a pure MPI application?
#131
opened Oct 7, 2021 by
jjlow
Allow construction of self-consistent dispersion
enhancement
New feature or request
#101
opened May 11, 2021 by
awvwgk
Allow more transparent modification of damping parameters
API
Affects the C-binding layer.
wontfix
This will not be worked on
#98
opened May 4, 2021 by
awvwgk
ProTip!
Follow long discussions with comments:>50.