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Fix key value not present for code

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This commit is contained in:
Mickaël Véril 2019-08-26 16:35:39 +02:00
parent 6bf0568147
commit 501333d92c
5 changed files with 5 additions and 5 deletions
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2
data/water_aug-cc-pVDZ_CC3.dat
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@ -1,5 +1,5 @@
# title : Water # title : Water
# code # code :
# method : CC3 # method : CC3
# basis : aug-cc-pVDZ,gaussian # basis : aug-cc-pVDZ,gaussian
# doi : 10.1021/acs.jctc.8b00406 # doi : 10.1021/acs.jctc.8b00406

2
data/water_aug-cc-pVDZ_CCSDT.dat
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@ -1,5 +1,5 @@
# title : Water # title : Water
# code # code :
# method : CCSDT # method : CCSDT
# basis : aug-cc-pVDZ,gaussian # basis : aug-cc-pVDZ,gaussian
# doi : 10.1021/acs.jctc.8b00406 # doi : 10.1021/acs.jctc.8b00406

2
data/water_aug-cc-pVDZ_CCSDTQ.dat
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@ -1,5 +1,5 @@
# title : Water # title : Water
# code # code :
# method : CCSDTQ # method : CCSDTQ
# basis : aug-cc-pVDZ,gaussian # basis : aug-cc-pVDZ,gaussian
# doi : 10.1021/acs.jctc.8b00406 # doi : 10.1021/acs.jctc.8b00406

2
data/water_aug-cc-pVDZ_CCSDTQP.dat
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@ -1,5 +1,5 @@
# title : Water # title : Water
# code # code :
# method : CCSDTQP # method : CCSDTQP
# basis : aug-cc-pVDZ,gaussian # basis : aug-cc-pVDZ,gaussian
# doi : 10.1021/acs.jctc.8b00406 # doi : 10.1021/acs.jctc.8b00406

2
data/water_aug-cc-pVDZ_exFCI.dat
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@ -1,5 +1,5 @@
# title : Water # title : Water
# code # code :
# method : CC3 # method : CC3
# basis : aug-cc-pVDZ,gaussian # basis : aug-cc-pVDZ,gaussian
# doi : 10.1021/acs.jctc.8b00406 # doi : 10.1021/acs.jctc.8b00406