From c69cac1b61964bae061788361754299292711b17 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= Date: Sun, 17 Nov 2019 14:49:11 +0100 Subject: [PATCH] Add missing coode for ethylene --- static/data/abs/ethylene_CCSDTQ_aug-cc-pVDZ.dat | 2 +- static/data/abs/ethylene_CCSDT_aug-cc-pVTZ.dat | 2 +- static/data/abs/ethylene_exFCI_aug-cc-pVDZ.dat | 2 +- static/data/abs/ethylene_exFCI_aug-cc-pVTZ.dat | 2 +- 4 files changed, 4 insertions(+), 4 deletions(-) diff --git a/static/data/abs/ethylene_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/ethylene_CCSDTQ_aug-cc-pVDZ.dat index 98df5563..d0b8a755 100644 --- a/static/data/abs/ethylene_CCSDTQ_aug-cc-pVDZ.dat +++ b/static/data/abs/ethylene_CCSDTQ_aug-cc-pVDZ.dat @@ -1,6 +1,6 @@ # Molecule : Ethylene # Comment : Absorption energies of the ethylene molecule -# code : +# code : MRCC # method : CCSDTQ,aug-cc-pVDZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/ethylene_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/ethylene_CCSDT_aug-cc-pVTZ.dat index 053d1d47..af6db952 100644 --- a/static/data/abs/ethylene_CCSDT_aug-cc-pVTZ.dat +++ b/static/data/abs/ethylene_CCSDT_aug-cc-pVTZ.dat @@ -1,6 +1,6 @@ # Molecule : Ethylene # Comment : Absorption energies of the ethylene molecule -# code : +# code : MRCC # method : CCSDT,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/ethylene_exFCI_aug-cc-pVDZ.dat b/static/data/abs/ethylene_exFCI_aug-cc-pVDZ.dat index 4bc0831a..3291e8d6 100644 --- a/static/data/abs/ethylene_exFCI_aug-cc-pVDZ.dat +++ b/static/data/abs/ethylene_exFCI_aug-cc-pVDZ.dat @@ -1,6 +1,6 @@ # Molecule : Ethylene # Comment : Absorption energies of the ethylene molecule -# code : +# code : MRCC # method : exFCI,aug-cc-pVDZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 diff --git a/static/data/abs/ethylene_exFCI_aug-cc-pVTZ.dat b/static/data/abs/ethylene_exFCI_aug-cc-pVTZ.dat index 44559da2..6dd07ad3 100644 --- a/static/data/abs/ethylene_exFCI_aug-cc-pVTZ.dat +++ b/static/data/abs/ethylene_exFCI_aug-cc-pVTZ.dat @@ -1,6 +1,6 @@ # Molecule : Ethylene # Comment : Absorption energies of the ethylene molecule -# code : +# code : MRCC # method : exFCI,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406