loos/srDFT_SC
1
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity
srDFT_SC/calcs/extensivity
History
Emmanuel Giner 584e7da053 added separaility tests
2019-10-16 11:38:24 +02:00
..
f2.DFT.out
working on dissociations
2019-10-13 19:01:42 +08:00
f2.xyz
working on dissociations
2019-10-13 19:01:42 +08:00
f2He.DFT.out
working on dissociations
2019-10-13 19:01:42 +08:00
He.DFT.out
working on dissociations
2019-10-13 19:01:42 +08:00
He.xyz
working on dissociations
2019-10-13 19:01:42 +08:00
n2.ezfio.casci.out
added some more stuffs for extensivity
2019-10-13 23:22:30 +08:00
n2.ezfio.DFT.out
added separaility tests
2019-10-16 11:38:24 +02:00
n2.xyz
added some more stuffs for extensivity
2019-10-13 23:22:30 +08:00
n_sz_0.ezfio.casci.out
added some more stuffs for extensivity
2019-10-14 00:39:15 +08:00
n_sz_0.ezfio.DFT.out
added some more stuffs for extensivity
2019-10-14 00:39:15 +08:00
n.ezfio.DFT.out
added separaility tests
2019-10-16 11:38:24 +02:00
n.xyz
added some more stuffs for extensivity
2019-10-13 23:22:30 +08:00
scf_energies
added separaility tests
2019-10-16 11:38:24 +02:00
super.xyz
working on dissociations
2019-10-13 19:01:42 +08:00