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Fix aug

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This commit is contained in:
Mickaël Véril 2020-02-04 13:59:37 +01:00
parent a21d98b0ea
commit b3e470bbd8
35 changed files with 35 additions and 35 deletions
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2
static/data/abs/cyanoacetylene_CC3_\emph{aug}-cc-pV5Z.dat → static/data/abs/cyanoacetylene_CC3_aug-cc-pV5Z.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : CC3,\emph{aug}-cc-pV5Z
# method : CC3,aug-cc-pV5Z
# geom :
# DOI :

2
static/data/abs/cyanoacetylene_CC3_\emph{aug}-cc-pVDZ.dat → static/data/abs/cyanoacetylene_CC3_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : CC3,\emph{aug}-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/abs/cyanoacetylene_CC3_\emph{aug}-cc-pVQZ.dat → static/data/abs/cyanoacetylene_CC3_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : CC3,\emph{aug}-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI :

2
static/data/abs/cyanoacetylene_CC3_\emph{aug}-cc-pVTZ.dat → static/data/abs/cyanoacetylene_CC3_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : CC3,\emph{aug}-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI :

2
static/data/abs/cyanoacetylene_CCSDTQ_\emph{aug}-cc-pVDZ.dat → static/data/abs/cyanoacetylene_CCSDTQ_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : CCSDTQ,\emph{aug}-cc-pVDZ
# method : CCSDTQ,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/abs/cyanoacetylene_CCSDT_\emph{aug}-cc-pVDZ.dat → static/data/abs/cyanoacetylene_CCSDT_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : CCSDT,\emph{aug}-cc-pVDZ
# method : CCSDT,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/abs/cyanoacetylene_CCSDT_\emph{aug}-cc-pVTZ.dat → static/data/abs/cyanoacetylene_CCSDT_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : CCSDT,\emph{aug}-cc-pVTZ
# method : CCSDT,aug-cc-pVTZ
# geom :
# DOI :

2
static/data/abs/cyanoacetylene_FCI_\emph{aug}-cc-pVDZ.dat → static/data/abs/cyanoacetylene_FCI_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : FCI,\emph{aug}-cc-pVDZ
# method : FCI,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/abs/cyanoacetylene_NEVPT2_\emph{aug}-cc-pVTZ.dat → static/data/abs/cyanoacetylene_NEVPT2_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : NEVPT2,\emph{aug}-cc-pVTZ
# method : NEVPT2,aug-cc-pVTZ
# geom :
# DOI :

2
static/data/abs/cyanogen_CC3_\emph{aug}-cc-pV5Z.dat → static/data/abs/cyanogen_CC3_aug-cc-pV5Z.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : CC3,\emph{aug}-cc-pV5Z
# method : CC3,aug-cc-pV5Z
# geom :
# DOI :

2
static/data/abs/cyanogen_CC3_\emph{aug}-cc-pVDZ.dat → static/data/abs/cyanogen_CC3_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : CC3,\emph{aug}-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/abs/cyanogen_CC3_\emph{aug}-cc-pVQZ.dat → static/data/abs/cyanogen_CC3_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : CC3,\emph{aug}-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI :

2
static/data/abs/cyanogen_CC3_\emph{aug}-cc-pVTZ.dat → static/data/abs/cyanogen_CC3_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : CC3,\emph{aug}-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI :

2
static/data/abs/cyanogen_CCSDTQ_\emph{aug}-cc-pVDZ.dat → static/data/abs/cyanogen_CCSDTQ_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : CCSDTQ,\emph{aug}-cc-pVDZ
# method : CCSDTQ,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/abs/cyanogen_CCSDT_\emph{aug}-cc-pVDZ.dat → static/data/abs/cyanogen_CCSDT_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : CCSDT,\emph{aug}-cc-pVDZ
# method : CCSDT,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/abs/cyanogen_CCSDT_\emph{aug}-cc-pVTZ.dat → static/data/abs/cyanogen_CCSDT_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : CCSDT,\emph{aug}-cc-pVTZ
# method : CCSDT,aug-cc-pVTZ
# geom :
# DOI :

2
static/data/abs/cyanogen_FCI_\emph{aug}-cc-pVDZ.dat → static/data/abs/cyanogen_FCI_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : FCI,\emph{aug}-cc-pVDZ
# method : FCI,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/abs/cyanogen_NEVPT2_\emph{aug}-cc-pVTZ.dat → static/data/abs/cyanogen_NEVPT2_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : NEVPT2,\emph{aug}-cc-pVTZ
# method : NEVPT2,aug-cc-pVTZ
# geom :
# DOI :

2
static/data/fluo/cyanoacetylene_CC3_\emph{aug}-cc-pVDZ.dat → static/data/fluo/cyanoacetylene_CC3_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : CC3,\emph{aug}-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/fluo/cyanoacetylene_CC3_\emph{aug}-cc-pVTZ.dat → static/data/fluo/cyanoacetylene_CC3_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : CC3,\emph{aug}-cc-pVTZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI :

2
static/data/fluo/cyanoacetylene_CC3_\emph{aug}-cc-pVQZ.dat → static/data/fluo/cyanoacetylene_CC3_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : CC3,\emph{aug}-cc-pVQZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI :

2
static/data/fluo/cyanoacetylene_CCSDTQ_\emph{aug}-cc-pVDZ.dat → static/data/fluo/cyanoacetylene_CCSDTQ_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : CCSDTQ,\emph{aug}-cc-pVDZ
# method : CCSDTQ,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/fluo/cyanoacetylene_CCSDT_\emph{aug}-cc-pVDZ.dat → static/data/fluo/cyanoacetylene_CCSDT_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : CCSDT,\emph{aug}-cc-pVDZ
# method : CCSDT,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/fluo/cyanoacetylene_CCSDT_\emph{aug}-cc-pVTZ.dat → static/data/fluo/cyanoacetylene_CCSDT_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : CCSDT,\emph{aug}-cc-pVTZ
# method : CCSDT,aug-cc-pVTZ
# geom :
# DOI :

2
static/data/fluo/cyanoacetylene_FCI_\emph{aug}-cc-pVDZ.dat → static/data/fluo/cyanoacetylene_FCI_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : FCI,\emph{aug}-cc-pVDZ
# method : FCI,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/fluo/cyanoacetylene_NEVPT2_\emph{aug}-cc-pVTZ.dat → static/data/fluo/cyanoacetylene_NEVPT2_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanoacetylene
# Comment :
# code :
# method : NEVPT2,\emph{aug}-cc-pVTZ
# method : NEVPT2,aug-cc-pVTZ
# geom :
# DOI :

2
static/data/fluo/cyanogen_CC3_\emph{aug}-cc-pV5Z.dat → static/data/fluo/cyanogen_CC3_aug-cc-pV5Z.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : CC3,\emph{aug}-cc-pV5Z
# method : CC3,aug-cc-pV5Z
# geom :
# DOI :

2
static/data/fluo/cyanogen_CC3_\emph{aug}-cc-pVDZ.dat → static/data/fluo/cyanogen_CC3_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : CC3,\emph{aug}-cc-pVDZ
# method : CC3,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/fluo/cyanogen_CC3_\emph{aug}-cc-pVQZ.dat → static/data/fluo/cyanogen_CC3_aug-cc-pVQZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : CC3,\emph{aug}-cc-pVQZ
# method : CC3,aug-cc-pVQZ
# geom :
# DOI :

2
static/data/fluo/cyanogen_CC3_\emph{aug}-cc-pVTZ.dat → static/data/fluo/cyanogen_CC3_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : CC3,\emph{aug}-cc-pVTZ
# method : CC3,aug-cc-pVTZ
# geom :
# DOI :

2
static/data/fluo/cyanogen_CCSDTQ_\emph{aug}-cc-pVDZ.dat → static/data/fluo/cyanogen_CCSDTQ_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : CCSDTQ,\emph{aug}-cc-pVDZ
# method : CCSDTQ,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/fluo/cyanogen_CCSDT_\emph{aug}-cc-pVDZ.dat → static/data/fluo/cyanogen_CCSDT_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : CCSDT,\emph{aug}-cc-pVDZ
# method : CCSDT,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/fluo/cyanogen_CCSDT_\emph{aug}-cc-pVTZ.dat → static/data/fluo/cyanogen_CCSDT_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : CCSDT,\emph{aug}-cc-pVTZ
# method : CCSDT,aug-cc-pVTZ
# geom :
# DOI :

2
static/data/fluo/cyanogen_FCI_\emph{aug}-cc-pVDZ.dat → static/data/fluo/cyanogen_FCI_aug-cc-pVDZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : FCI,\emph{aug}-cc-pVDZ
# method : FCI,aug-cc-pVDZ
# geom :
# DOI :

2
static/data/fluo/cyanogen_NEVPT2_\emph{aug}-cc-pVTZ.dat → static/data/fluo/cyanogen_NEVPT2_aug-cc-pVTZ.dat
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@ -1,7 +1,7 @@
# Molecule : Cyanogen
# Comment :
# code :
# method : NEVPT2,\emph{aug}-cc-pVTZ
# method : NEVPT2,aug-cc-pVTZ
# geom :
# DOI :