From 252884d995cc77dc1a2ac68a14940aee40fa7abf Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= Date: Mon, 14 Sep 2020 17:24:34 +0200 Subject: [PATCH] Fix missing geometry --- static/data/abs/aza-naphthalene_CC3_aug-cc-pVTZ.dat | 2 +- static/data/abs/aza-naphthalene_SCS-CC2_aug-cc-pVTZ.dat | 2 +- static/data/abs/aza-naphthalene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat | 2 +- static/data/abs/aza-naphthalene_SOS-CC2_aug-cc-pVTZ.dat | 2 +- 4 files changed, 4 insertions(+), 4 deletions(-) diff --git a/static/data/abs/aza-naphthalene_CC3_aug-cc-pVTZ.dat b/static/data/abs/aza-naphthalene_CC3_aug-cc-pVTZ.dat index 23db9625..ba7ecd47 100644 --- a/static/data/abs/aza-naphthalene_CC3_aug-cc-pVTZ.dat +++ b/static/data/abs/aza-naphthalene_CC3_aug-cc-pVTZ.dat @@ -2,7 +2,7 @@ # Comment : # code : # method : CC3,aug-cc-pVTZ -# geom : +# geom : CC3,cc-pVTZ # article : QUEST5-1 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe diff --git a/static/data/abs/aza-naphthalene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/aza-naphthalene_SCS-CC2_aug-cc-pVTZ.dat index 4975a823..00311af6 100644 --- a/static/data/abs/aza-naphthalene_SCS-CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/aza-naphthalene_SCS-CC2_aug-cc-pVTZ.dat @@ -2,7 +2,7 @@ # Comment : # code : # method : SCS-CC2,aug-cc-pVTZ -# geom : +# geom : CC3,cc-pVTZ # article : QUEST5-1 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe diff --git a/static/data/abs/aza-naphthalene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/aza-naphthalene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat index 3253a911..19e076f9 100644 --- a/static/data/abs/aza-naphthalene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat +++ b/static/data/abs/aza-naphthalene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat @@ -2,7 +2,7 @@ # Comment : # code : # method : SOS-ADC(2) [TM],aug-cc-pVTZ -# geom : +# geom : CC3,cc-pVTZ # article : QUEST5-1 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe diff --git a/static/data/abs/aza-naphthalene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/aza-naphthalene_SOS-CC2_aug-cc-pVTZ.dat index 87ec6a18..ed813380 100644 --- a/static/data/abs/aza-naphthalene_SOS-CC2_aug-cc-pVTZ.dat +++ b/static/data/abs/aza-naphthalene_SOS-CC2_aug-cc-pVTZ.dat @@ -2,7 +2,7 @@ # Comment : # code : # method : SOS-CC2,aug-cc-pVTZ -# geom : +# geom : CC3,cc-pVTZ # article : QUEST5-1 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe