PTEROSOR/QUESTDB_website
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QUESTDB_website/static/data/fluo
History
Mickaël Véril e759d88c77 Fix CBS
2020-02-03 15:51:17 +01:00
..
acetylene_ADC(2)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
acetylene_ADC(3)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
acetylene_CC2_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
acetylene_CC3_aug-cc-pVDZ.dat
Fix significative figures in datafiles
2020-02-03 13:26:26 +01:00
acetylene_CC3_aug-cc-pVTZ.dat
Add code
2020-01-29 17:20:34 +01:00
acetylene_CC3(FC)_aug-cc-pVDZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
acetylene_CC3(FC)_aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
acetylene_CC3(FC)_aug-cc-pVTZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
acetylene_CC3(FC)_d-aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
acetylene_CC3(Full)_aug-cc-pV5Z.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
acetylene_CC3(Full)_aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
acetylene_CC3(Full)_d-aug-cc-pV5Z.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
acetylene_CC3(Full)_d-aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
acetylene_CC(3)_aug-cc-pVTZ.dat
Fix methods names
2020-02-03 15:07:32 +01:00
acetylene_CCSD_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
acetylene_CCSDT_aug-cc-pVDZ.dat
Add code
2020-01-29 17:20:34 +01:00
acetylene_CCSDT_aug-cc-pVTZ.dat
Add code
2020-01-29 17:20:34 +01:00
acetylene_CCSDT-3_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
acetylene_CCSDTQ_aug-cc-pVDZ.dat
Fix significative figures in datafiles
2020-02-03 13:26:26 +01:00
acetylene_CCSDTQ_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
acetylene_CIS(D-infty)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
acetylene_CIS(D)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
acetylene_exFCI_aug-cc-pVDZ.dat
Add code
2020-01-29 17:20:34 +01:00
acetylene_exFCI_aug-cc-pVTZ.dat
Add code
2020-01-29 17:20:34 +01:00
acetylene_STEOM_aug-cc-pVTZ.dat
Fix methods names
2020-02-03 15:07:32 +01:00
acetylene_TBE_cbs.dat
Fix CBS
2020-02-03 15:51:17 +01:00
acetylene_TBE(FC).dat
Rename and fix TBE and TBE(FC)
2020-01-29 17:20:34 +01:00
diazomethane_ADC(2)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
diazomethane_ADC(3)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
diazomethane_CC2_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
diazomethane_CC3_aug-cc-pVDZ.dat
Add code
2020-01-29 17:20:34 +01:00
diazomethane_CC3_aug-cc-pVTZ.dat
Add code
2020-01-29 17:20:34 +01:00
diazomethane_CC3(FC)_aug-cc-pVDZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
diazomethane_CC3(FC)_aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
diazomethane_CC3(FC)_aug-cc-pVTZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
diazomethane_CC3(Full)_aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
diazomethane_CC3(Full)_d-aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
diazomethane_CC(3)_aug-cc-pVTZ.dat
Fix methods names
2020-02-03 15:07:32 +01:00
diazomethane_CCSD_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
diazomethane_CCSDT_aug-cc-pVDZ.dat
Add code
2020-01-29 17:20:34 +01:00
diazomethane_CCSDT_aug-cc-pVTZ.dat
Add code
2020-01-29 17:20:34 +01:00
diazomethane_CCSDT-3_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
diazomethane_CIS(D-infty)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
diazomethane_CIS(D)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
diazomethane_exFCI_aug-cc-pVDZ.dat
Add code
2020-01-29 17:20:34 +01:00
diazomethane_exFCI_aug-cc-pVTZ.dat
Add code
2020-01-29 17:20:34 +01:00
diazomethane_STEOM_aug-cc-pVTZ.dat
Fix methods names
2020-02-03 15:07:32 +01:00
diazomethane_TBE_cbs.dat
Fix CBS
2020-02-03 15:51:17 +01:00
diazomethane_TBE(FC).dat
Rename and fix TBE and TBE(FC)
2020-01-29 17:20:34 +01:00
formaldehyde_ADC(2)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
formaldehyde_ADC(3)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
formaldehyde_CC2_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
formaldehyde_CC3_aug-cc-pVDZ.dat
Add code
2020-01-29 17:20:34 +01:00
formaldehyde_CC3_aug-cc-pVTZ.dat
Add code
2020-01-29 17:20:34 +01:00
formaldehyde_CC3(FC)_aug-cc-pVDZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
formaldehyde_CC3(FC)_aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
formaldehyde_CC3(FC)_aug-cc-pVTZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
formaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
formaldehyde_CC3(Full)_aug-cc-pV5Z.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
formaldehyde_CC3(Full)_aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
formaldehyde_CC3(Full)_d-aug-cc-pV5Z.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
formaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
formaldehyde_CC(3)_aug-cc-pVTZ.dat
Fix methods names
2020-02-03 15:07:32 +01:00
formaldehyde_CCSD_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
formaldehyde_CCSDT_aug-cc-pVDZ.dat
Add code
2020-01-29 17:20:34 +01:00
formaldehyde_CCSDT_aug-cc-pVTZ.dat
Add code
2020-01-29 17:20:34 +01:00
formaldehyde_CCSDT-3_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
formaldehyde_CCSDTQ_aug-cc-pVDZ.dat
Add code
2020-01-29 17:20:34 +01:00
formaldehyde_CCSDTQ_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
formaldehyde_CIS(D-infty)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
formaldehyde_CIS(D)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
formaldehyde_exFCI_aug-cc-pVDZ.dat
Add code
2020-01-29 17:20:34 +01:00
formaldehyde_exFCI_aug-cc-pVTZ.dat
Fix significative figures in datafiles
2020-02-03 13:26:26 +01:00
formaldehyde_STEOM_aug-cc-pVTZ.dat
Fix methods names
2020-02-03 15:07:32 +01:00
formaldehyde_TBE_cbs.dat
Fix CBS
2020-02-03 15:51:17 +01:00
formaldehyde_TBE(FC).dat
Rename and fix TBE and TBE(FC)
2020-01-29 17:20:34 +01:00
ketene_ADC(2)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
ketene_ADC(3)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
ketene_CC2_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
ketene_CC3_aug-cc-pVDZ.dat
Fix significative figures in datafiles
2020-02-03 13:26:26 +01:00
ketene_CC3_aug-cc-pVTZ.dat
Fix significative figures in datafiles
2020-02-03 13:26:26 +01:00
ketene_CC3(FC)_aug-cc-pVDZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
ketene_CC3(FC)_aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
ketene_CC3(FC)_aug-cc-pVTZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
ketene_CC3(Full)_aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
ketene_CC3(Full)_d-aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
ketene_CC(3)_aug-cc-pVTZ.dat
Fix methods names
2020-02-03 15:07:32 +01:00
ketene_CCSD_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
ketene_CCSDT_aug-cc-pVDZ.dat
Add code
2020-01-29 17:20:34 +01:00
ketene_CCSDT_aug-cc-pVTZ.dat
Fix significative figures in datafiles
2020-02-03 13:26:26 +01:00
ketene_CCSDT-3_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
ketene_CIS(D-infty)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
ketene_CIS(D)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
ketene_exFCI_aug-cc-pVDZ.dat
Add code
2020-01-29 17:20:34 +01:00
ketene_exFCI_aug-cc-pVTZ.dat
Fix significative figures in datafiles
2020-02-03 13:26:26 +01:00
ketene_STEOM_aug-cc-pVTZ.dat
Fix methods names
2020-02-03 15:07:32 +01:00
ketene_TBE_cbs.dat
Fix CBS
2020-02-03 15:51:17 +01:00
ketene_TBE(FC).dat
Rename and fix TBE and TBE(FC)
2020-01-29 17:20:34 +01:00
nitrosomethane_ADC(2)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
nitrosomethane_ADC(3)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
nitrosomethane_CC2_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
nitrosomethane_CC3_aug-cc-pVDZ.dat
Fix significative figures in datafiles
2020-02-03 13:26:26 +01:00
nitrosomethane_CC3_aug-cc-pVTZ.dat
Add code
2020-01-29 17:20:34 +01:00
nitrosomethane_CC3(FC)_aug-cc-pVDZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
nitrosomethane_CC3(FC)_aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
nitrosomethane_CC3(FC)_aug-cc-pVTZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
nitrosomethane_CC3(Full)_aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
nitrosomethane_CC(3)_aug-cc-pVTZ.dat
Fix methods names
2020-02-03 15:07:32 +01:00
nitrosomethane_CCSD_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
nitrosomethane_CCSDT_aug-cc-pVDZ.dat
Add code
2020-01-29 17:20:34 +01:00
nitrosomethane_CCSDT_aug-cc-pVTZ.dat
Add code
2020-01-29 17:20:34 +01:00
nitrosomethane_CCSDT-3_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
nitrosomethane_CIS(D-infty)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
nitrosomethane_CIS(D)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
nitrosomethane_exFCI_aug-cc-pVDZ.dat
Fix significative figures in datafiles
2020-02-03 13:26:26 +01:00
nitrosomethane_exFCI_aug-cc-pVTZ.dat
Add code
2020-01-29 17:20:34 +01:00
nitrosomethane_STEOM_aug-cc-pVTZ.dat
Fix methods names
2020-02-03 15:07:32 +01:00
nitrosomethane_TBE_cbs.dat
Fix CBS
2020-02-03 15:51:17 +01:00
nitrosomethane_TBE(FC).dat
Rename and fix TBE and TBE(FC)
2020-01-29 17:20:34 +01:00
thioformaldehyde_ADC(2)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
thioformaldehyde_ADC(3)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
thioformaldehyde_CC2_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
thioformaldehyde_CC3_aug-cc-pVDZ.dat
Fix significative figures in datafiles
2020-02-03 13:26:26 +01:00
thioformaldehyde_CC3_aug-cc-pVTZ.dat
Add code
2020-01-29 17:20:34 +01:00
thioformaldehyde_CC3(FC)_aug-cc-pVDZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
thioformaldehyde_CC3(FC)_aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
thioformaldehyde_CC3(FC)_aug-cc-pVTZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
thioformaldehyde_CC3(FC)_d-aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
thioformaldehyde_CC3(Full)_aug-cc-pV5Z.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
thioformaldehyde_CC3(Full)_aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
thioformaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat
Add code for new CC3 files
2020-01-29 17:20:34 +01:00
thioformaldehyde_CC(3)_aug-cc-pVTZ.dat
Fix methods names
2020-02-03 15:07:32 +01:00
thioformaldehyde_CCSD_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
thioformaldehyde_CCSDT_aug-cc-pVDZ.dat
Fix significative figures in datafiles
2020-02-03 13:26:26 +01:00
thioformaldehyde_CCSDT_aug-cc-pVTZ.dat
Add code
2020-01-29 17:20:34 +01:00
thioformaldehyde_CCSDT-3_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat
Add code
2020-01-29 17:20:34 +01:00
thioformaldehyde_CCSDTQ_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
thioformaldehyde_CIS(D-infty)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
thioformaldehyde_CIS(D)_aug-cc-pVTZ.dat
Fix missing code
2020-01-29 17:20:34 +01:00
thioformaldehyde_exFCI_aug-cc-pVDZ.dat
Add code
2020-01-29 17:20:34 +01:00
thioformaldehyde_exFCI_aug-cc-pVTZ.dat
Add code
2020-01-29 17:20:34 +01:00
thioformaldehyde_STEOM_aug-cc-pVTZ.dat
Fix methods names
2020-02-03 15:07:32 +01:00
thioformaldehyde_TBE_cbs.dat
Fix CBS
2020-02-03 15:51:17 +01:00
thioformaldehyde_TBE(FC).dat
Rename and fix TBE and TBE(FC)
2020-01-29 17:20:34 +01:00