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benzene.ang
|
update benzene loc
|
2020-11-14 10:54:19 +01:00 |
|
benzene.fc.out
|
benzene and furan
|
2020-10-26 21:58:41 +01:00 |
|
benzene.fci.out
|
localization scripts
|
2020-11-04 16:04:33 +01:00 |
|
benzene.localized.nofci.out
|
update
|
2020-11-26 20:15:38 +01:00 |
|
benzene.mo
|
update benzene loc
|
2020-11-14 10:54:19 +01:00 |
|
benzene.natorb.out
|
update T2
|
2020-11-10 20:33:15 +01:00 |
|
benzene.nofci.out
|
update benzene loc
|
2020-11-14 10:51:02 +01:00 |
|
benzene.restart2.nofci.out
|
6-31g furan
|
2021-01-02 15:30:56 +01:00 |
|
benzene.restart.nofci.out
|
update benzene furan
|
2020-12-12 09:13:25 +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 |
|
localize.sh
|
update benzene loc
|
2020-11-14 10:54:19 +01:00 |
|
run_fci.sh
|
benzene and furan
|
2020-10-26 21:58:41 +01:00 |
|
run_loc.sh
|
update benzene loc
|
2020-11-14 10:54:19 +01:00 |
|
run_restart.sh
|
update benzene furan
|
2020-12-12 09:13:25 +01:00 |
|
slurm-490111.out
|
update benzene loc
|
2020-11-14 10:51:02 +01:00 |
