Commit Graph

10 Commits

Author SHA1 Message Date
ab67b8b224 Update outpus 2020-11-18 10:01:08 +01:00
f8b215b84d Update outputs 2020-11-16 13:46:57 +01:00
d60a5b1a2c Update outputs 2020-11-16 09:46:09 +01:00
a7e7f6fd1e Update outputs 2020-11-12 11:07:54 +01:00
3d07f90f3a using cis to solve scf problem 2020-11-10 10:07:46 +01:00
2487
65afc9a022 new script 2020-11-10 09:56:49 +01:00
29011357cb Update outputs 2020-11-10 09:34:31 +01:00
4a439546c5 update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
4aeba658f6 Update output files 2020-11-05 11:14:40 +01:00
af0fd6848a Add pyrazine 2020-11-03 14:19:53 +01:00