From 0e51a054f67f36715faaaf860054865dd623bfb2 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= Date: Fri, 7 Aug 2020 11:54:04 +0200 Subject: [PATCH] Fix missing QUEST#3-addon DOI --- static/data/abs/cyclopropenone_ADC(2)_aug-cc-pVTZ_addon.dat | 2 +- static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ_addon.dat | 2 +- static/data/abs/cyclopropenone_CC2_aug-cc-pVTZ_addon.dat | 2 +- static/data/abs/cyclopropenone_CC3_aug-cc-pVTZ_addon.dat | 2 +- 4 files changed, 4 insertions(+), 4 deletions(-) diff --git a/static/data/abs/cyclopropenone_ADC(2)_aug-cc-pVTZ_addon.dat b/static/data/abs/cyclopropenone_ADC(2)_aug-cc-pVTZ_addon.dat index 809b6067..3423bec7 100644 --- a/static/data/abs/cyclopropenone_ADC(2)_aug-cc-pVTZ_addon.dat +++ b/static/data/abs/cyclopropenone_ADC(2)_aug-cc-pVTZ_addon.dat @@ -3,7 +3,7 @@ # code : # method : ADC(2),aug-cc-pVTZ # geom : -# DOI : +# DOI : 10.1021/acs.jpclett.9b03652,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ_addon.dat b/static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ_addon.dat index c37274a6..b4b8a787 100644 --- a/static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ_addon.dat +++ b/static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ_addon.dat @@ -3,7 +3,7 @@ # code : # method : ADC(3),aug-cc-pVTZ # geom : -# DOI : +# DOI : 10.1021/acs.jpclett.9b03652,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cyclopropenone_CC2_aug-cc-pVTZ_addon.dat b/static/data/abs/cyclopropenone_CC2_aug-cc-pVTZ_addon.dat index 9011e12d..7ee597b3 100644 --- a/static/data/abs/cyclopropenone_CC2_aug-cc-pVTZ_addon.dat +++ b/static/data/abs/cyclopropenone_CC2_aug-cc-pVTZ_addon.dat @@ -3,7 +3,7 @@ # code : # method : CC2,aug-cc-pVTZ # geom : -# DOI : +# DOI : 10.1021/acs.jpclett.9b03652,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## diff --git a/static/data/abs/cyclopropenone_CC3_aug-cc-pVTZ_addon.dat b/static/data/abs/cyclopropenone_CC3_aug-cc-pVTZ_addon.dat index a60b56b5..c9837e9b 100644 --- a/static/data/abs/cyclopropenone_CC3_aug-cc-pVTZ_addon.dat +++ b/static/data/abs/cyclopropenone_CC3_aug-cc-pVTZ_addon.dat @@ -3,7 +3,7 @@ # code : # method : CC3,aug-cc-pVTZ # geom : -# DOI : +# DOI : 10.1021/acs.jpclett.9b03652,true # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ##############