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Most issues
Fewest issues
bug
bug
Something isn't working
21
build
build
Build system related issues (OS, compilers, meson)
14
C-API
C-API
Concerns the ISO-C layer
4
dependencies
dependencies
Pull requests that update a dependency file
documentation
documentation
Improvements or additions to documentation
13
driver: hessian
driver: hessian
Related to the numerical differentation driver
3
driver: optimization
driver: optimization
Related to the geometry optimization driver
2
duplicate
duplicate
This issue or pull request already exists
easy to fix
easy to fix
This issue has a low difficulty and little entry-barrier, great to get started with this project
10
enhancement
enhancement
New feature or request
34
external
external
Issues related to external programs depending on this project
5
formatting
formatting
Reformat files using a valid Fortran formatter, such as findent or fprettify.
help wanted
help wanted
Extra attention is needed
1
invalid
invalid
This issue or pull request is not correct
library: dftd4
library: dftd4
library: mctc-lib
library: mctc-lib
Related to the toolchain library dependency
library: tblite
library: tblite
Related to the tblite library dependency
1
method: ALPB
method: ALPB
Related to the GBSA and ALPB implicit solvation model
3
method: CEH
method: CEH
Related to the CEH charge model from `tblite`
method: GFN-FF
method: GFN-FF
Related to the GFN-FF method
7
method: PTB
method: PTB
One of the possible run types in the xtb program package. Performs a PTB calculation.
method: xTB
method: xTB
Related to the xTB Hamiltonian and its parametrisations
11
platform: MacOS
platform: MacOS
Related to using this project on MacOS
platform: Windows
platform: Windows
Related to using this project on Windows
2
refactor
refactor
Enhancing and optimizing source code for improved readability, maintainability, and performance
1
stale
stale
inactive issue or PR
subprogram
subprogram
Related to an xTB subprogram (e.g. thermo, dock or dipro)
support
support
Question regarding this project or underlying method
16
unconfirmed
unconfirmed
This report has not yet been confirmed by the developers
40
unlikely
unlikely
This issue describes a low-probability event in a distant future