Thomas3R

Pinned Repositories

qc2-teaching
Resources for teaching quantum chemistry courses in Bonn
Language:Fortran36 4 1613
wp12-teaching
Resources for teaching quantum chemistry courses in Bonn
Language:Batchfile4 3 00
xtb
Semiempirical Extended Tight-Binding Program Package
Language:Fortran604 33 517149
xtb_docs
Language:Python35 9 3137
dftbplus
DFTB+ general package for performing fast atomistic simulations
Language:Fortran0 0 00
lnqm
Large scale lanthanoid dataset
Language:Python0 0 00
qc2-teaching
Resources for teaching quantum chemistry courses in Bonn
Language:Fortran0 0 00
TmQM_zip
00
xtb
Semiempirical Extended Tight-Binding Program Package
Language:Fortran0 0 01
xtb_docs
Language:Python0 0 00

Thomas3R's Repositories

Thomas3R/dftbplus
DFTB+ general package for performing fast atomistic simulations
Language:Fortran0 0 00
Thomas3R/lnqm
Large scale lanthanoid dataset
Language:Python0 0 00
Thomas3R/qc2-teaching
Resources for teaching quantum chemistry courses in Bonn
Language:Fortran0 0 00
Thomas3R/TmQM_zip
00
Thomas3R/xtb
Semiempirical Extended Tight-Binding Program Package
Language:Fortran0 0 01
Thomas3R/xtb_docs
Language:Python0 0 00