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refresh with new 4index

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This commit is contained in:
Edoardo Apra 2014-09-05 03:17:26 +00:00
parent 2e103e4392
commit 51c828b954
2 changed files with 845 additions and 289 deletions
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4
QA/tests/tce_hyperpolar_ccsd_big/tce_hyperpolar_ccsd_big.nw
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@ -5,7 +5,7 @@ start tce_hyperpolar_ccsd_big
#permanent_dir /scratch1/scratchdirs/jhammond/permanent
#scratch_dir /scratch1/scratchdirs/jhammond/scratch
memory stack 1500 mb heap 100 mb global 1500 mb
memory stack 1100 mb heap 100 mb global 1500 mb
geometry units au
# C2v B3LYP/cc-pVdz optimized geometry
@ -67,7 +67,7 @@ tce
thresh 1.0e-7
io ga
2eorb
2emet 13
2emet 15
#split 4
tilesize 30
attilesize 40

1130
QA/tests/tce_hyperpolar_ccsd_big/tce_hyperpolar_ccsd_big.out
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