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Date
Name
Thumbnail
Size
Description
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14:03, 13 March 2011
RAS12in12 24212 Current code serial updated test.log
(
file
)
1.2 MB
1
14:02, 13 March 2011
RAS12in12 24212 Current code serial.gjf
(
file
)
2 KB
2
14:01, 13 March 2011
RAS12in12 24212 New code serial updated test.log
(
file
)
1.2 MB
1
13:56, 13 March 2011
RAS12in12 24212 New code serial.gjf
(
file
)
2 KB
3
20:45, 4 March 2011
RAS14in14 24210 Current code Linda 2N4P test.log
(
file
)
1.49 MB
1
20:44, 4 March 2011
RAS14in14 24210 Current code Linda 2N4P.gjf
(
file
)
2 KB
1
20:43, 4 March 2011
RAS14in14 24210 New code Linda 2N4P test.log
(
file
)
1.48 MB
1
20:43, 4 March 2011
RAS14in14 24210 New code Linda 2N4P.gjf
(
file
)
2 KB
1
20:38, 4 March 2011
CAS12in12 Current code Linda 2N4P test.log
(
file
)
571 KB
1
20:37, 4 March 2011
CAS12in12 Current code Linda 2N4P.gjf
(
file
)
2 KB
1
20:36, 4 March 2011
CAS12in12 New code Linda 2N4P test.log
(
file
)
571 KB
1
20:17, 4 March 2011
CAS12in12 New code Linda 2N4P.gjf
(
file
)
2 KB
1
19:50, 4 March 2011
CAS perform.jpg
(
file
)
51 KB
1
19:31, 4 March 2011
CAS12in12 New code shared lower 4P test.log
(
file
)
571 KB
1
19:27, 4 March 2011
CAS12in12 New code shared lower 4P.gjf
(
file
)
2 KB
1
19:18, 4 March 2011
RAS14in14 24210 Current code shared 8P test.log
(
file
)
1.49 MB
1
19:18, 4 March 2011
RAS14in14 24210 Current code shared 8P.gjf
(
file
)
2 KB
1
19:17, 4 March 2011
RAS14in14 24210 New code shared 8P test.log
(
file
)
1.48 MB
1
19:14, 4 March 2011
RAS14in14 24210 New code shared 8P.gjf
(
file
)
2 KB
1
19:07, 4 March 2011
RAS12in12 24212 Current code serial test.log
(
file
)
1.31 MB
1
19:03, 4 March 2011
RAS12in12 24212 New code serial test.log
(
file
)
1.31 MB
1
18:25, 4 March 2011
CAS12in12 Current code shared 4P test.log
(
file
)
571 KB
1
18:25, 4 March 2011
CAS12in12 Current code shared 4P.gjf
(
file
)
2 KB
1
18:24, 4 March 2011
CAS12in12 New code shared 4P test.log
(
file
)
571 KB
1
18:20, 4 March 2011
CAS12in12 New code shared 4P.gjf
(
file
)
2 KB
1
18:04, 4 March 2011
CAS10in10 Current code serial test.log
(
file
)
438 KB
1
18:02, 4 March 2011
CAS10in10 Current code serial.gjf
(
file
)
1 KB
1
16:08, 4 March 2011
CAS10in10 New code serial test.log
(
file
)
437 KB
Output file for the CASSCF(10,10) serial job
1
15:57, 4 March 2011
CAS10in10 New code serial.gjf
(
file
)
1 KB
CASSCF 10e in 10o on naphthalene using new code serially.
1
12:31, 3 March 2011
Mcscf space.jpg
(
file
)
70 KB
3
12:22, 3 March 2011
Mcscf space.pdf
(
file
)
33 KB
1
12:18, 3 March 2011
CAS RAS space.jpg
(
file
)
33 KB
Partition of CASSCF/RASSCF active space.
1
