2487 65afc9a022 new script

2020-11-10 09:56:49 +01:00

..

benzene.fc.out

benzene

2020-11-03 22:26:03 +01:00

benzene.fci.out

new script

2020-11-10 09:56:49 +01:00

benzene.scf.out

benzene

2020-11-03 22:26:03 +01:00

benzene.xyz

benzene

2020-11-03 22:26:03 +01:00

run_fci.sh

benzene and furan

2020-10-26 21:58:41 +01:00

slurm-490112.out

new script

2020-11-10 09:56:49 +01:00