Basis-set-exchange

Latest version: v0.10

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0.10

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* Python 3.12 compatibility
* Fixes Molpro reader
* Fixes varous references and docs
* Added basis sets:
* protonic basis sets by Yu, Pavosevic and Hammes-Schiffer
* even-tempered 8s8p8d protonic basis

0.9

--------------------
* AutoAux (ability to dynamically generate auxiliary basis set)
* Formats
* FHI-aims
* MolCAS RICDLib format (reader & writer)
* Gaussian system library format
* MolPro
* Added basis sets
* 6-31G* and 6-311G** RIFIT
* More HGBS
* Jensen ccX
* (A)TZP-ZORA
* demon2k dzvp-gga
* Koga unpolarized basis sets

0.8.13

--------------------
* Fix for molcas writer (issue 104)
* Ability to extend dunning augmentation (d-aug, t-aug, etc)
* Ability to create truhlar 'calendar' basis sets
* More fixes for validation
* Add v1 basis sets
* cc-pV5Z-F12
* cc-pV{D,T,Q,5}Z-rev2
* (aug-)cc-pwCV{D,T,Q,5}Z-RIFIT
* (A)HGBS
* SAP
* Fix "pages" entry in bibtex (issue 114)
* Fix psi4 output for L >= 7

0.8.12

--------------------
* Better dectection of duplicate shells within general contractions
* Adds RIS output for references
* Add v0 basis sets
* Roos augmented ANO DZ/TZ
* Dunning F12 RIFIT
* Add v1 basis sets
* Jensen (aug-)pcH
* ANO-R (including ANO-R{0,1,2,3})
* ANO-RCC-{MB,VDZ,VDZP,VTZ,VTZP,VQZP} from Molcas
* Fixes Sm p-shell in cc-pwCVQZ-DK3 (creates v2)
* Major refactor of readers/writers
* Adds lots of testing/validation to readers
* Moves readers out of curation.
* Renames output converters to writers
* Adds additional validation to data via schema and the
validator module
* Adds functionality for converting between basis set formats

0.8.11

--------------------
* Adds PQS output converter
* Adds Endnote reference converter
* Adds v1 basis sets
* Zorilla SBO4-SZ-3G and SBO4-DZ(d)-3G
* DFO of Porezag/Pederson
* ANO-DK3

0.8.10

--------------------
* Adds output converters
* Orca
* BDF
* AcesII
* Fixes issue in turbomole output (AM ordering)
* Fixes issue in gaussian output (missing blank line)
* Adds v0 basis sets
* Dunning PP fitting
* aug-cc-pwCVXZ-PP (X=D,T,Q,5)
* (aug)-cc-pwCVXZ-RIFIT (X=D,T,Q,5)
* Dunning OPTRI (including F12 and PP)
* Adds v1 basis sets
* x2c-SV(P)all-s, x2c-SVPall-s,
x2c-TZVPall-s, x2c-TZVPPall-s
* Dunning X2C/DK3
* jgauss basis sets from cfour

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