From 501333d92c11e33b75ca3b0bec29fa69421cf85c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= Date: Mon, 26 Aug 2019 16:35:39 +0200 Subject: [PATCH] Fix key value not present for code --- data/water_aug-cc-pVDZ_CC3.dat | 2 +- data/water_aug-cc-pVDZ_CCSDT.dat | 2 +- data/water_aug-cc-pVDZ_CCSDTQ.dat | 2 +- data/water_aug-cc-pVDZ_CCSDTQP.dat | 2 +- data/water_aug-cc-pVDZ_exFCI.dat | 2 +- 5 files changed, 5 insertions(+), 5 deletions(-) diff --git a/data/water_aug-cc-pVDZ_CC3.dat b/data/water_aug-cc-pVDZ_CC3.dat index 43acc533..1a2978fd 100644 --- a/data/water_aug-cc-pVDZ_CC3.dat +++ b/data/water_aug-cc-pVDZ_CC3.dat @@ -1,5 +1,5 @@ # title : Water -# code +# code : # method : CC3 # basis : aug-cc-pVDZ,gaussian # doi : 10.1021/acs.jctc.8b00406 diff --git a/data/water_aug-cc-pVDZ_CCSDT.dat b/data/water_aug-cc-pVDZ_CCSDT.dat index 8e225cef..8400ae08 100644 --- a/data/water_aug-cc-pVDZ_CCSDT.dat +++ b/data/water_aug-cc-pVDZ_CCSDT.dat @@ -1,5 +1,5 @@ # title : Water -# code +# code : # method : CCSDT # basis : aug-cc-pVDZ,gaussian # doi : 10.1021/acs.jctc.8b00406 diff --git a/data/water_aug-cc-pVDZ_CCSDTQ.dat b/data/water_aug-cc-pVDZ_CCSDTQ.dat index 167e8083..3874ad0b 100644 --- a/data/water_aug-cc-pVDZ_CCSDTQ.dat +++ b/data/water_aug-cc-pVDZ_CCSDTQ.dat @@ -1,5 +1,5 @@ # title : Water -# code +# code : # method : CCSDTQ # basis : aug-cc-pVDZ,gaussian # doi : 10.1021/acs.jctc.8b00406 diff --git a/data/water_aug-cc-pVDZ_CCSDTQP.dat b/data/water_aug-cc-pVDZ_CCSDTQP.dat index 49f411f6..3d5d12fc 100644 --- a/data/water_aug-cc-pVDZ_CCSDTQP.dat +++ b/data/water_aug-cc-pVDZ_CCSDTQP.dat @@ -1,5 +1,5 @@ # title : Water -# code +# code : # method : CCSDTQP # basis : aug-cc-pVDZ,gaussian # doi : 10.1021/acs.jctc.8b00406 diff --git a/data/water_aug-cc-pVDZ_exFCI.dat b/data/water_aug-cc-pVDZ_exFCI.dat index 6c0f4a0a..6ad66fa2 100644 --- a/data/water_aug-cc-pVDZ_exFCI.dat +++ b/data/water_aug-cc-pVDZ_exFCI.dat @@ -1,5 +1,5 @@ # title : Water -# code +# code : # method : CC3 # basis : aug-cc-pVDZ,gaussian # doi : 10.1021/acs.jctc.8b00406