mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-25 13:53:48 +01:00
Add Code value for each data file
This commit is contained in:
parent
1552154fb6
commit
f636b762b3
@ -1,5 +1,5 @@
|
|||||||
# title : Water
|
# title : Water
|
||||||
# code :
|
# code : Dalton
|
||||||
# geometry: CC3,aug-cc-pVTZ,gaussian
|
# geometry: CC3,aug-cc-pVTZ,gaussian
|
||||||
# method : CC3
|
# method : CC3
|
||||||
# basis : aug-cc-pVDZ,gaussian
|
# basis : aug-cc-pVDZ,gaussian
|
||||||
|
@ -1,5 +1,5 @@
|
|||||||
# title : Water
|
# title : Water
|
||||||
# code :
|
# code : MRCC
|
||||||
# geometry: CC3,aug-cc-pVTZ,gaussian
|
# geometry: CC3,aug-cc-pVTZ,gaussian
|
||||||
# method : CCSDT
|
# method : CCSDT
|
||||||
# basis : aug-cc-pVDZ,gaussian
|
# basis : aug-cc-pVDZ,gaussian
|
||||||
|
@ -1,5 +1,5 @@
|
|||||||
# title : Water
|
# title : Water
|
||||||
# code :
|
# code : MRCC
|
||||||
# geometry: CC3,aug-cc-pVTZ,gaussian
|
# geometry: CC3,aug-cc-pVTZ,gaussian
|
||||||
# method : CCSDTQ
|
# method : CCSDTQ
|
||||||
# basis : aug-cc-pVDZ,gaussian
|
# basis : aug-cc-pVDZ,gaussian
|
||||||
|
@ -1,5 +1,5 @@
|
|||||||
# title : Water
|
# title : Water
|
||||||
# code :
|
# code : MRCC
|
||||||
# geometry: CC3,aug-cc-pVTZ,gaussian
|
# geometry: CC3,aug-cc-pVTZ,gaussian
|
||||||
# method : CCSDTQP
|
# method : CCSDTQP
|
||||||
# basis : aug-cc-pVDZ,gaussian
|
# basis : aug-cc-pVDZ,gaussian
|
||||||
|
@ -1,5 +1,5 @@
|
|||||||
# title : Water
|
# title : Water
|
||||||
# code :
|
# code : MRCC
|
||||||
# geometry: CC3,aug-cc-pVTZ,gaussian
|
# geometry: CC3,aug-cc-pVTZ,gaussian
|
||||||
# method : exFCI
|
# method : exFCI
|
||||||
# basis : aug-cc-pVDZ,gaussian
|
# basis : aug-cc-pVDZ,gaussian
|
||||||
|
@ -1,5 +1,5 @@
|
|||||||
# title : Water
|
# title : Water
|
||||||
# code :
|
# code : Dalton
|
||||||
# geometry: CC3,aug-cc-pVTZ,gaussian
|
# geometry: CC3,aug-cc-pVTZ,gaussian
|
||||||
# method : CC3
|
# method : CC3
|
||||||
# basis : aug-cc-pVTZ,gaussian
|
# basis : aug-cc-pVTZ,gaussian
|
||||||
|
@ -1,5 +1,5 @@
|
|||||||
# title : Water
|
# title : Water
|
||||||
# code :
|
# code : MRCC
|
||||||
# geometry: CC3,aug-cc-pVTZ,gaussian
|
# geometry: CC3,aug-cc-pVTZ,gaussian
|
||||||
# method : CCSDT
|
# method : CCSDT
|
||||||
# basis : aug-cc-pVTZ,gaussian
|
# basis : aug-cc-pVTZ,gaussian
|
||||||
|
@ -1,5 +1,5 @@
|
|||||||
# title : Water
|
# title : Water
|
||||||
# code :
|
# code : MRCC
|
||||||
# geometry: CC3,aug-cc-pVTZ,gaussian
|
# geometry: CC3,aug-cc-pVTZ,gaussian
|
||||||
# method : CCSDTQ
|
# method : CCSDTQ
|
||||||
# basis : aug-cc-pVTZ,gaussian
|
# basis : aug-cc-pVTZ,gaussian
|
||||||
|
@ -1,5 +1,5 @@
|
|||||||
# title : Water
|
# title : Water
|
||||||
# code :
|
# code : MRCC
|
||||||
# geometry: CC3,aug-cc-pVTZ,gaussian
|
# geometry: CC3,aug-cc-pVTZ,gaussian
|
||||||
# method : exFCI
|
# method : exFCI
|
||||||
# basis : aug-cc-pVTZ,gaussian
|
# basis : aug-cc-pVTZ,gaussian
|
||||||
|
Loading…
Reference in New Issue
Block a user