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dftbplus 20.2.1 - Excited States and Dispersion D3
#703 opened Jan 21, 2021 by t-s-hofer
2
Intel toolchain forced to use of -standard-semantics or -assume realloc_lhs build system
#701 opened Jan 13, 2021 by awvwgk
Don't search for MPI in non-MPI builds build system
#699 opened Jan 13, 2021 by awvwgk
1
Fails to build with Intel oneAPI classic compilers when MBD enabled
#696 opened Jan 4, 2021 by awvwgk
dftb+ 20.2.1 intel mkl library linking error
#694 opened Dec 27, 2020 by anshugaur
Build fails for MSYS2 MinGW toolchain bug build system
#692 opened Dec 21, 2020 by awvwgk
2
tests processing misses junk entries - should warn/stop
#671 opened Nov 9, 2020 by bhourahine
Linear Response Spin Resolved Convergence
#634 opened Sep 9, 2020 by Mverena
TunnelingAndDos output case inconsistencies
#629 opened Aug 22, 2020 by bhourahine
PGI 20.7 fails to build DFTB+
#627 opened Aug 19, 2020 by awvwgk
1
Is reduced charges proper to check convergence for SCC part?
#626 opened Aug 19, 2020 by inseonglee
4
__version__ not set Python API
#598 opened Aug 5, 2020 by bhourahine
pythonapi fail for missing properties API Python API
#597 opened Aug 5, 2020 by bhourahine
2
Terminology in stdOut for SCC Documentation
#591 opened Aug 1, 2020 by bhourahine
Sort regression tests by ascending time enhancement
#585 opened Jul 29, 2020 by bhourahine
1
Mass density units in the manual Documentation
#584 opened Jul 28, 2020 by bhourahine
setupgeom with mpi
#581 opened Jul 26, 2020 by dryndyk
1
8
xmlf90_dom_error error code and termination broken
#577 opened Jul 25, 2020 by bhourahine
Missing C API functionality enhancement
#576 opened Jul 25, 2020 by bhourahine 0 of 4
Coverage testing for code enhancement
#572 opened Jul 23, 2020 by bhourahine 21.1
All file units in Casida routines should be using newunit enhancement
#564 opened Jul 20, 2020 by bhourahine 21.1
Spin constants difference
#562 opened Jul 20, 2020 by inseonglee
3
error for ~30,000 atoms
#534 opened Jul 6, 2020 by blindcharzard
3
Circular dependencies of MKL libraries when using cmake to compile
#531 opened Jul 1, 2020 by hsulab
2
Modularize MPI testing for serial codes enhancement
#518 opened Jun 13, 2020 by bhourahine
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