PTEROSOR/QUESTDB_website
10
0
Fork 0
mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-08-26 06:01:49 +02:00
Code Releases Activity

Add geometry to data files

Browse Source
This commit is contained in:
Mickaël Véril 2019-09-16 12:03:24 +02:00
parent fe72aca3fe
commit 1552154fb6
9 changed files with 9 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

1
static/data/water_aug-cc-pVDZ_CC3.dat
View File

@ -1,5 +1,6 @@
# title : Water # title : Water
# code : # code :
# geometry: CC3,aug-cc-pVTZ,gaussian
# 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

1
static/data/water_aug-cc-pVDZ_CCSDT.dat
View File

@ -1,5 +1,6 @@
# title : Water # title : Water
# code : # code :
# geometry: CC3,aug-cc-pVTZ,gaussian
# 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

1
static/data/water_aug-cc-pVDZ_CCSDTQ.dat
View File

@ -1,5 +1,6 @@
# title : Water # title : Water
# code : # code :
# geometry: CC3,aug-cc-pVTZ,gaussian
# 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

1
static/data/water_aug-cc-pVDZ_CCSDTQP.dat
View File

@ -1,5 +1,6 @@
# title : Water # title : Water
# code : # code :
# geometry: CC3,aug-cc-pVTZ,gaussian
# 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

1
static/data/water_aug-cc-pVDZ_exFCI.dat
View File

@ -1,5 +1,6 @@
# title : Water # title : Water
# code : # code :
# geometry: CC3,aug-cc-pVTZ,gaussian
# method : exFCI # method : exFCI
# basis : aug-cc-pVDZ,gaussian # basis : aug-cc-pVDZ,gaussian
# doi : 10.1021/acs.jctc.8b00406 # doi : 10.1021/acs.jctc.8b00406

1
static/data/water_aug-cc-pVTZ_CC3.dat
View File

@ -1,5 +1,6 @@
# title : Water # title : Water
# code : # code :
# geometry: CC3,aug-cc-pVTZ,gaussian
# method : CC3 # method : CC3
# basis : aug-cc-pVTZ,gaussian # basis : aug-cc-pVTZ,gaussian
# doi : 10.1021/acs.jctc.8b00406 # doi : 10.1021/acs.jctc.8b00406

1
static/data/water_aug-cc-pVTZ_CCSDT.dat
View File

@ -1,5 +1,6 @@
# title : Water # title : Water
# code : # code :
# geometry: CC3,aug-cc-pVTZ,gaussian
# method : CCSDT # method : CCSDT
# basis : aug-cc-pVTZ,gaussian # basis : aug-cc-pVTZ,gaussian
# doi : 10.1021/acs.jctc.8b00406 # doi : 10.1021/acs.jctc.8b00406

1
static/data/water_aug-cc-pVTZ_CCSDTQ.dat
View File

@ -1,5 +1,6 @@
# title : Water # title : Water
# code : # code :
# geometry: CC3,aug-cc-pVTZ,gaussian
# method : CCSDTQ # method : CCSDTQ
# basis : aug-cc-pVTZ,gaussian # basis : aug-cc-pVTZ,gaussian
# doi : 10.1021/acs.jctc.8b00406 # doi : 10.1021/acs.jctc.8b00406

1
static/data/water_aug-cc-pVTZ_exFCI.dat
View File

@ -1,5 +1,6 @@
# title : Water # title : Water
# code : # code :
# geometry: CC3,aug-cc-pVTZ,gaussian
# method : exFCI # method : exFCI
# basis : aug-cc-pVTZ,gaussian # basis : aug-cc-pVTZ,gaussian
# doi : 10.1021/acs.jctc.8b00406 # doi : 10.1021/acs.jctc.8b00406