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mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-25 13:53:48 +01:00

Merge branch 'master' into newDataOldQuest

This commit is contained in:
Mickaël Véril 2020-10-27 16:49:24 +01:00
commit 77c8ecf5b1
16 changed files with 16 additions and 16 deletions

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : ADC(2),aug-cc-pVTZ # method : ADC(2),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : ADC(2.5),aug-cc-pVTZ # method : ADC(2.5),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : ADC(3),aug-cc-pVTZ # method : ADC(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : CC2,aug-cc-pVTZ # method : CC2,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : CC3,aug-cc-pVTZ # method : CC3,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : CCCSDT-3,aug-cc-pVTZ # method : CCCSDT-3,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : CCSD(2),aug-cc-pVTZ # method : CCSD(2),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : CCSDR(3),aug-cc-pVTZ # method : CCSDR(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : CCSD,aug-cc-pVTZ # method : CCSD,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : CIS(D),aug-cc-pVTZ # method : CIS(D),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : SCS-CC2,aug-cc-pVTZ # method : SCS-CC2,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ # method : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : SOS-ADC(2) [TM],aug-cc-pVTZ # method : SOS-ADC(2) [TM],aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : SOS-CC2,aug-cc-pVTZ # method : SOS-CC2,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : STEOM-CCSD,aug-cc-pVTZ # method : STEOM-CCSD,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe

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@ -2,7 +2,7 @@
# Comment : # Comment :
# code : # code :
# method : TBE,aug-cc-pVTZ # method : TBE,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ # geom : CCSD(T),aug-cc-pVTZ
# set : QUEST#5,0 # set : QUEST#5,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe