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[Gamess-uk-users] A problem with GVB

gamess-uk-users@ccpforge.cse.rl.ac.uk

5

2

2013-04-20 03:26:19

[Gamess-uk-users] bq charges not shown anywhere

gamess-uk-users@ccpforge.cse.rl.ac.uk

6

2

2013-04-20 03:26:18

Re: [Gamess-uk-users] accuracy-error

gamess-uk-users@ccpforge.cse.rl.ac.uk

1

2

2013-04-20 03:26:18

Re: [Gamess-uk-users] accuracy-error

gamess-uk-users@ccpforge.cse.rl.ac.uk

1

2

2013-04-20 03:26:18

Re: [Gamess-uk-users] accuracy-error

gamess-uk-users@ccpforge.cse.rl.ac.uk

1

2

2013-04-20 03:26:18

[Gamess-uk-users] unused code in m4 directory

gamess-uk-users@ccpforge.cse.rl.ac.uk

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2013-04-20 03:26:16

RE: [Gamess-uk-users] Single point calculation with TZVP basissetterminated abnormally

gamess-uk-users@ccpforge.cse.rl.ac.uk

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2

2013-04-20 03:26:15

[Gamess-uk-users] The meanig of the <psi1|psi1> in MRCI-MP2calculation

gamess-uk-users@ccpforge.cse.rl.ac.uk

1

5

2013-04-20 03:26:14

[Gamess-uk-users] re:Single point calculation with TZVP basis setterminated abnormally

gamess-uk-users@ccpforge.cse.rl.ac.uk

1

5

2013-04-20 03:26:13

[Gamess-uk-users] Single point calculation with TZVP basis setterminated abnormally

gamess-uk-users@ccpforge.cse.rl.ac.uk

1

5

2013-04-20 03:26:13

[Gamess-uk-users] The meanig of the <psi1|psi1> in MRCI-MP2calculations

gamess-uk-users@ccpforge.cse.rl.ac.uk

1

2

2013-04-20 03:26:12

[Gamess-uk-users] Stuttgart_ecp

gamess-uk-users@ccpforge.cse.rl.ac.uk

1

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2013-04-20 03:26:11

[Gamess-uk-users] Re[2]: ZORA for selected (heavy) atoms only

gamess-uk-users@ccpforge.cse.rl.ac.uk

2

4

2013-04-20 03:26:11

[Gamess-uk-users] ZORA for selected (heavy) atoms only

gamess-uk-users@ccpforge.cse.rl.ac.uk

2

5

2013-04-20 03:26:11

[Gamess-uk-users]RE: RE: RE: Gamess-uk-users Digest, Vol 5, Issue 6

"Yanhong Li" <Yanhong.Li@port.ac.uk>

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2013-04-20 03:26:11

[Gamess-uk-users] RE: RE: Gamess-uk-users Digest, Vol 5, Issue 6

"Yanhong Li" <Yanhong.Li@port.ac.uk>

2

2

2013-04-20 03:26:10

[Gamess-uk-users] RE: RE: Gamess-uk-users Digest, Vol 5, Issue 6

"Yanhong Li" <Yanhong.Li@port.ac.uk>

2

2

2013-04-20 03:26:10

[Gamess-uk-users] Re: RE: Gamess-uk-users Digest, Vol 5, Issue 6

"Yanhong Li" <Yanhong.Li@port.ac.uk>

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2013-04-20 03:26:10

[Gamess-uk-users] Re: size of molecule limitation?

"Yanhong Li" <Yanhong.Li@port.ac.uk>

2

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2013-04-20 03:26:09

[Gamess-uk-users] size of molecule limitation

"Yanhong Li" <Yanhong.Li@port.ac.uk>

3

2

2013-04-20 03:26:05

Re: [Gamess-uk-users] A question on state-average mcscf/casscfcalculations in gamess-uk

Evgeniy Gromov <Evgeniy.Gromov@pci.uni-heidelberg.de>

1

2

2013-04-20 03:26:05

[Fwd: Re: [Gamess-uk-users] A question on state-average mcscf/casscfcalculations in gamess-uk]

Evgeniy Gromov <Evgeniy.Gromov@pci.uni-heidelberg.de>

1

2

2013-04-20 03:26:04

FW: [Gamess-uk-users] A question on state-averagemcscf/casscfcalculations in gamess-uk

"Van Dam, HJJ \(Huub\)" <h.j.j.vandam@dl.ac.uk>

1

2

2013-04-20 03:26:04

[Gamess-uk-users] Question: Is it possible to generate a file withMO coefficients to read them in into gamess-uk.

Evgeniy Gromov <Evgeniy.Gromov@pci.uni-heidelberg.de>

1

2

2013-04-20 03:26:04

[Gamess-uk-users] A question on state-average mcscf/casscfcalculations in gamess-uk

Evgeniy Gromov <Evgeniy.Gromov@pci.uni-heidelberg.de>

1

2

2013-04-20 03:26:04

[Gamess-uk-users] Slightly wrong Pople's basis sets for sulfur

Evgeniy Gromov <Evgeniy.Gromov@pci.uni-heidelberg.de>

1

2

2013-04-20 03:26:04

Re: [Gamess-uk-users] gamess uk compilation and debugging

Jens Thomas <j.m.h.thomas@dl.ac.uk>

2

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2013-04-20 03:26:03

[Gamess-uk-users] gamess uk compilation and debugging

2

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2013-04-20 03:26:03

Re: [Gamess-uk-users] A PROBLEM with DIRECT CI !

Evgeniy Gromov <Evgeniy.Gromov@pci.uni-heidelberg.de>

1

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2013-04-20 03:26:03

[Gamess-uk-users] A problem with the pre-directive option "width"

Evgeniy Gromov <Evgeniy.Gromov@pci.uni-heidelberg.de>

4

2

2013-04-20 03:26:02

[Gamess-uk-users] extremely large bss size in built charmm

"=?GB2312?B?TEkgRGFvYmluZyAowO61wLH4KQ==?=" <lidaobing@gmail.com>

2

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2013-04-20 03:26:01

[Gamess-uk-users] FW: GAMESS-UK restart: I/O error on getq

"Van Dam, HJJ \(Huub\)" <h.j.j.vandam@dl.ac.uk>

1

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2013-04-20 03:26:01

[Gamess-uk-users] Still testing

2

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2013-04-20 03:26:01

[Gamess-uk-users] (no subject)

clare.gibson@hmi.de

1

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2013-04-20 03:26:00

[Gamess-uk-users] graphics1b

clare.gibson@hmi.de

2

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2013-04-20 03:26:00

[Gamess-uk-users] Test message for Martyn Guest

Jens Thomas <j.m.h.thomas@dl.ac.uk>

2

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2013-04-20 03:26:00

[Gamess-uk-users] Still testing

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1

2013-04-20 03:25:59

[Gamess-uk-users] testing Mk. 10

1

1

2013-04-20 03:25:58

[Gamess-uk-users] Welcome to the gamess-uk-users mailing list

Jens Thomas <j.m.h.thomas@dl.ac.uk>

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2013-04-20 03:25:58

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