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20 Open 90 Closed
20 Open 90 Closed
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Issues list

Update to Catch 3
#495 opened Oct 16, 2024 by susilehtola
DeltaSCF calulations with exact exchange produce wrong results (MPI)
#493 opened Sep 3, 2024 by msnik1999
Output depending on print level fails with MPI
#492 opened Sep 3, 2024 by msnik1999
Failing response SCF test bug
#487 opened May 30, 2024 by stigrj
6
PBC
#485 opened May 11, 2024 by sanshar
2
Missing } in input file not detected
#482 opened Apr 25, 2024 by lratcliff
Numerical problems with relativistic zora calculations
#474 opened Nov 17, 2023 by moritzgubler
7
Libxc interface?
#472 opened Nov 14, 2023 by susilehtola
1
Running solvent in MPI doesn't change the update, and cant converge bug
#462 opened Sep 20, 2023 by Gabrielgerez
@stigrj @robertodr
@gitpeterwind @Gabrielgerez
2
mrchem 1.1.x do not install libraries any more
#448 opened Jan 22, 2023 by susilehtola
2
Broken when mrcpp uses OpenMPI: ld: error: undefined symbol: mrcpp::SharedMemory::SharedMemory(int, int)
#438 opened Nov 14, 2022 by yurivict
1
Installing in mac docs Anything about the MRChem documentation
#431 opened Oct 6, 2022 by Gabrielgerez
@stigrj @robertodr
@ilfreddy @bjorgve @Christian48596
1
Cannot run without input discussion enhancement
#409 opened May 2, 2022 by Gabrielgerez
6
Static code analysis (MRChem)
#391 opened Dec 30, 2021 by susilehtola
Gradient does not play well with MPI distributed OrbitalVectors bug
#375 opened Jun 30, 2021 by stigrj
Rewrite read-in of SAD guess enhancement good-first-pr A good way to get yourself into MRChem
#345 opened Nov 11, 2020 by robertodr
14
one- and two-electron operators discussion help wanted
#289 opened Apr 6, 2020 by ilfreddy
5
Proper handling of physical constants enhancement
#171 opened Dec 15, 2018 by stigrj
3
Design of higher order response operators discussion
#167 opened Dec 10, 2018 by stigrj
1
NumPy file formats discussion
#157 opened Nov 21, 2018 by ilfreddy
5
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