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Pull requests list

Remove duplicate results tag
bug
#1453 opened May 4, 2024 by bhourahine Loading…
Draft for plugin loading mechanism
#1449 opened Apr 29, 2024 by terminationshock • Draft
3
Analytical gamma second derivative
#1443 opened Apr 20, 2024 by bhourahine Loading…
4
Non-collinear hybrids for molecules
enhancement work in progress
#1428 opened Apr 1, 2024 by bhourahine • Draft
4 of 5 tasks
1
External model interface
API Relates to the API work in progress
#1420 opened Mar 19, 2024 by bhourahine • Draft
4 of 6 tasks
24.2
3
Complex k-points in analysis
work in progress
#1410 opened Mar 11, 2024 by bhourahine • Draft
1
Improve import manipulation of Fortran files
#1391 opened Feb 11, 2024 by jubich Loading…
2
MPI implementation of timeprop enhancement MPI Relates to distributed parallel
#1390 opened Feb 7, 2024 by mberdakin • Draft
6 tasks
29
Control over accumulating MD quantities
enhancement UX User experience
#1388 opened Feb 6, 2024 by bhourahine Loading… 24.2
@aradi
4
Yearupdate
#1385 opened Feb 3, 2024 by jubich Loading…
2 tasks
6
Remove imports without "only"
#1382 opened Feb 1, 2024 by jubich Loading…
3
Regression test for Ewald stress tensor
#1375 opened Jan 23, 2024 by bhourahine Loading…
@terminationshock
3
Remove stdOut from global variables
#1339 opened Oct 27, 2023 by jubich • Draft
2 tasks
ASIrebase
API Relates to the API enhancement
#1335 opened Oct 22, 2023 by bhourahine Loading… 24.2
1
mDFTB
enhancement
#1325 opened Oct 3, 2023 by vnquanvuong Loading…
15
Check neighbour set
API Relates to the API
#1321 opened Sep 30, 2023 by bhourahine • Draft
2
Marks external neighbour set for recomputation
API Relates to the API bug
#1319 opened Sep 30, 2023 by bhourahine Loading… 24.2
3
Generalised Born sym neighbours
#1307 opened Sep 5, 2023 by bhourahine • Draft
2 of 3 tasks
1
Parsing-related error propagation
#1306 opened Aug 29, 2023 by vanderhe Loading…
1
Periodic contacts
bug library: negf Related to libnegf external dependency (transport)
#1301 opened Aug 13, 2023 by bhourahine Loading…
10 tasks done
2
Dipole correction
#1299 opened Aug 9, 2023 by aradi • Draft
1 of 4 tasks
5
Td mpi
enhancement MPI Relates to distributed parallel
#1274 opened Jul 6, 2023 by thomas-niehaus Loading… 24.2
@aradi @bhourahine @thomas-niehaus
53
ChIMES repulsives for non-periodic systems
enhancement
#1257 opened Jun 21, 2023 by vanderhe • Draft
1 of 3 tasks
3
Pauli model in transport
enhancement
#1254 opened Jun 17, 2023 by bhourahine • Draft
1
Start of Coulomb setup for xTB pt charges enhancement Hamiltonian: xTB Related to the extended tight-binding Hamiltonian work in progress
#1246 opened May 25, 2023 by bhourahine • Draft
5 of 11 tasks
1
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