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Ec/pyrazine/cc-pvdz
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Mickaël Véril 8b3333a9d3 Update outputs
2020-11-30 09:58:00 +01:00
..
pyrazine.cis.out
using cis to solve scf problem
2020-11-10 10:07:46 +01:00
pyrazine.fc.out
Update output files
2020-11-05 11:14:40 +01:00
pyrazine.fci.out
Update outputs
2020-11-12 11:07:54 +01:00
pyrazine.natorb.out
Update outputs
2020-11-12 11:07:54 +01:00
pyrazine.nofci.out
Update outputs
2020-11-19 10:52:40 +01:00
pyrazine.scf.out
using cis to solve scf problem
2020-11-10 10:07:46 +01:00
pyrazine.xyz
Add pyrazine
2020-11-03 14:19:53 +01:00
run_cis_fci.sh
new script
2020-11-10 09:56:49 +01:00
run_fci.sh
Add pyrazine
2020-11-03 14:19:53 +01:00
slurm-490134.out
using cis to solve scf problem
2020-11-10 10:07:46 +01:00
slurm-493750.out
Update outputs
2020-11-30 09:58:00 +01:00