SCM-NV/nano-qmflows Issues
Reading molecular orbitals fails
Closed 21Installation issue
Closed 14Energy unit!!
Closed 2removeHDF5
Closed 2Add XC functional parameters
Closed 2run_workflow.py
Closed 4Coupling workflow index error(?)
Closed 1Error using distribute_jobs.py
Closed 6Pyxaid hamiltonians
ClosedDefine cutoff and xc parameters
Closed 10set cp2k path
Closednano-qmflows issue!!
Closed 5Free format slurm script
Closed 6touch path_hdf5
Closeddistribute_jobs.py
ClosedAllow more SBATCH keywords
Closed 1Improve documentation
Closed 1Add MyPy Test
Closed 1allow to run on OSX
Closed 1Use a newer version of LibInt
Closed 1Add more tests and type
Closed 1used new qmflows API
ClosedRename package to qmflows_namd
Closed 1