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Home Page: http://tapplencourt.github.io/G2_TestSet_API
All the info on the G2 Test set (Geometries, Energies, zpe, and so on)
Home Page: http://tapplencourt.github.io/G2_TestSet_API
Maybe add COLLATE NOCASE to all the STRING / Character in the DB
Pour SiH2-3B1 avec la géométrie << expérimental >> il manque tout les CIPSI (10k puis 1M puis 1M_no_10k) en cc-pvdz et cc-pvtz.
et pour les 1M puis 1M_on_10k en cc-pVTZ, geo MP2 et Expérimental il manque ces 10 là :
C2H4, C2H6, H3CO, N2H4, H2O2, Si2H, CH3C, H3CS, HOCl, SO2
--ele Need to show only the run who have ALL the list not one element
Table 8 union Table 12
Table 13 14 15 was DMC not VMC
51 | CCSD(T) | | MP2 | Gaussian_(6d10f) | H Li Na
49 | MP2 | def2-TZVP | MP2 | | H Li Na
35 | CCSD(T) | cc-pVTZ | MP2 | Gaussian_(6d10f)
Add the error for the AE_exp.
Take HF
Need to clean the code for the printing section.
Realy messy
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