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Fix exFCI

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This commit is contained in:
Mickaël Véril 2019-09-16 09:52:57 +02:00
parent f72186fed3
commit 51a590e875
2 changed files with 2 additions and 2 deletions
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2
static/data/water_aug-cc-pVDZ_exFCI.dat
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@ -1,6 +1,6 @@
# title : Water # title : Water
# code : # code :
# method : CC3 # method : exFCI
# basis : aug-cc-pVDZ,gaussian # basis : aug-cc-pVDZ,gaussian
# doi : 10.1021/acs.jctc.8b00406 # doi : 10.1021/acs.jctc.8b00406

2
static/data/water_aug-cc-pVTZ_exFCI.dat
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@ -1,6 +1,6 @@
# title : Water # title : Water
# code : # code :
# method : CCSDTQ # method : exFCI
# basis : aug-cc-pVTZ,gaussian # basis : aug-cc-pVTZ,gaussian
# doi : 10.1021/acs.jctc.8b00406 # doi : 10.1021/acs.jctc.8b00406