Issues
- 2
Gaussian system library cannot be directly used in SP (related) calculations
#313 opened by RuochengHan - 2
BSE has no metadata
#310 opened by susilehtola - 2
r_exponents seem too high for cc-pVXZ-PP Hf
#295 opened by corinwagen - 2
unidecode and GPL?
#309 opened by oliver-s-lee - 0
Installation Problem
#308 opened by ekwan - 0
- 0
Implement support for spin-orbit ECPs
#306 opened by susilehtola - 10
vDZP basis
#266 opened by susilehtola - 2
ano-pVXZ basis sets are incorrect
#304 opened by bennybp - 1
TZVP-DKH problem for CRYSTAL
#298 opened by QuantumEntg - 7
Potential problem on exponent of carbon A5ZP basis set
#296 opened by ajz34 - 2
- 3
labels for high-L AOs defy convention
#292 opened by evaleev - 1
An error in the Lanl2DZ ECP of thallium
#291 opened by zorkzou - 0
MINIX basis set
#290 opened by corinwagen - 0
Syncing basis sets to BSE webpage
#286 opened by TyBalduf - 2
conda version?
#287 opened by corinwagen - 2
Error in Crystal basis set conversion
#285 opened by QuantumEntg - 0
Unknown file format to read 'json'
#284 opened by RodrigoAVargasHdz - 0
Format of basis set references
#283 opened by bingao - 1
Tests broken
#277 opened by susilehtola - 1
read_formatted_basis_file Error
#281 opened by stedonnelly - 0
pecS-n basis sets
#279 opened by susilehtola - 4
- 0
3-21SP and 4-22SP basis sets
#273 opened by susilehtola - 3
Using Basis Set Exchange as a backend service
#272 opened by bingao - 4
Basis_Set_Conversion
#271 opened by sibananda6 - 1
Diffuse def2 sets for lanthanides
#229 opened by susilehtola - 1
Unable to convert basis set from orca format
#267 opened by AssoliLan - 0
seg-cc-pVnZ-PP and seg-cc-pwCVnZ-PP basis sets
#248 opened by susilehtola - 1
CP2K Reader errors
#251 opened by tillhanke - 0
- 0
Add cc-pVnZ-F12 basis sets for groups 11 and 12
#258 opened by JGrantHill - 1
6-21G parameters of Neon is different from the papar
#255 opened by inoueta - 2
readers don't initialize all fields of basis set
#226 opened by susilehtola - 0
pecJ-n sets
#220 opened by susilehtola - 1
aug-cc-pVTZ-J for 4th row p-block
#219 opened by susilehtola - 2
aux_basis for Q-Chem
#243 opened by felixplasser - 0
ano-pVXZ sets
#230 opened by susilehtola - 0
Missing parsers
#231 opened by susilehtola - 4
Large-core quasirelativistic ECPs (Stuttgart)
#237 opened by felixplasser - 1
- 2
Fix ANO-R basis sets
#211 opened by susilehtola - 0
Jorge basis sets
#214 opened by susilehtola - 7
Molcas output does not specify Cartesian functions
#218 opened by Jellby - 0
- 0
Synchronize with ccRepo
#216 opened by susilehtola - 0
- 1
Implement PySCF basis set output
#210 opened by susilehtola - 1
Include minimally augmented Karlsruhe sets / implement minimal augmentation
#202 opened by susilehtola