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[Gamess-uk-users] Potential Energy Scans

Discussions/queries about using GAMESS-UK<gamess-uk-users@ccpforge.cse.rl.ac.uk>

1

2

2013-04-20 03:26:56

[Gamess-uk-users] Question on a direct CI option EXCIT

Discussions/queries about using GAMESS-UK<gamess-uk-users@ccpforge.cse.rl.ac.uk>

5

2

2013-04-20 03:26:56

[Gamess-uk-users] Different output with Intel compiler

Discussions/queries about using GAMESS-UK<gamess-uk-users@ccpforge.cse.rl.ac.uk>

3

2

2013-04-20 03:26:55

[Gamess-uk-users] A few issues after a while away from usingGAMESS(UK)

Discussions/queries about using GAMESS-UK<gamess-uk-users@ccpforge.cse.rl.ac.uk>

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2013-04-20 03:26:54

[Gamess-uk-users] (no subject)

Discussions/queries about using GAMESS-UK<gamess-uk-users@ccpforge.cse.rl.ac.uk>

1

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2013-04-20 03:26:54

Re: [Gamess-uk-users] hessian

Discussions/queries about using GAMESS-UK<gamess-uk-users@ccpforge.cse.rl.ac.uk>

1

2

2013-04-20 03:26:53

Re: [Gamess-uk-users] hessian

Discussions/queries about using GAMESS-UK<gamess-uk-users@ccpforge.cse.rl.ac.uk>

1

2

2013-04-20 03:26:53

[Gamess-uk-users] transition dipole moment for HF orbitals

Discussions/queries about using GAMESS-UK<gamess-uk-users@ccpforge.cse.rl.ac.uk>

1

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2013-04-20 03:26:52

Re: [Gamess-uk-users] hessian

Discussions/queries about using GAMESS-UK<gamess-uk-users@ccpforge.cse.rl.ac.uk>

4

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2013-04-20 03:26:52

Re: [Gamess-uk-users] hessian

Discussions/queries about using GAMESS-UK<gamess-uk-users@ccpforge.cse.rl.ac.uk>

1

4

2013-04-20 03:26:52

Re: [Gamess-uk-users] hessian

Discussions/queries about using GAMESS-UK<gamess-uk-users@ccpforge.cse.rl.ac.uk>

1

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2013-04-20 03:26:51

[Gamess-uk-users] "not enough buffer space"

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

2

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2013-04-20 03:26:51

[Gamess-uk-users] Variable used before initialized in m4/direct.m

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

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2013-04-20 03:26:51

[Gamess-uk-users] uninitialized variable in m4/analf.m

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

2

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2013-04-20 03:26:50

[Gamess-uk-users] strange code in vb/vbscf.m

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

5

2

2013-04-20 03:26:50

[Gamess-uk-users] Typo in vb/servec.m?

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

2

2

2013-04-20 03:26:50

[Gamess-uk-users] dump file growing constantly

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

2

2

2013-04-20 03:26:49

[Gamess-uk-users] Bug in machscf.m ?

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

1

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2013-04-20 03:26:48

[Gamess-uk-users] Solvation calcs in GAMESS-UK 7.0

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

2

2

2013-04-20 03:26:48

[Gamess-uk-users] Patches to gamess-uk trunk

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

4

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2013-04-20 03:26:48

[Gamess-uk-users] RE: customer enquiry from Japan

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

2

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2013-04-20 03:26:47

[Gamess-uk-users] NaN values in zmatrix generated from geomatry data

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

4

2

2013-04-20 03:26:47

[Gamess-uk-users] ci: usage

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

1

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2013-04-20 03:26:46

[Gamess-uk-users] Inconsistency in subroutine paths

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

1

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2013-04-20 03:26:46

Re: [Gamess-uk-users] DL-FIND_with_constraints

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

2

2

2013-04-20 03:26:46

[Gamess-uk-users] DL-FIND_with_constraints

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

1

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2013-04-20 03:26:45

[Gamess-uk-users] Question about atosto behaviour

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

3

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2013-04-20 03:26:45

[Gamess-uk-users] Typo in error output in readi8

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

1

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2013-04-20 03:26:45

[Gamess-uk-users] Stack overwrite

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

1

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2013-04-20 03:26:44

[Gamess-uk-users] Need to terminate if-statement early

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

1

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2013-04-20 03:26:44

[Gamess-uk-users] More uninitialized variables

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

1

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2013-04-20 03:26:44

[Gamess-uk-users] Typo in dl-find/dlf_dimer.f90?

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

1

2

2013-04-20 03:26:44

[Gamess-uk-users] Uninitialized variable in vb/vbci.m

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

1

2

2013-04-20 03:26:44

[Gamess-uk-users] Uninitialized var in drf/drfsub.m

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

1

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2013-04-20 03:26:43

[Gamess-uk-users] Suspect code in m4/server.m

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

6

2

2013-04-20 03:26:43

[Gamess-uk-users] dirctb.f: compile error

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

3

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2013-04-20 03:26:42

[Gamess-uk-users] errors in jorgensen optimization documentation

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

1

2

2013-04-20 03:26:42

[Gamess-uk-users] mcscf and disk access

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

1

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2013-04-20 03:26:41

[Gamess-uk-users] GAMESS-UK-8.0, i8, pgi

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

1

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2013-04-20 03:26:41

[Gamess-uk-users] compiler specific runtime environment variables

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

1

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2013-04-20 03:26:41

Re: Re: [Gamess-uk-users] optimization / frequency calculation

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

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2013-04-20 03:26:41

Re: [Gamess-uk-users] servec documentation

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

1

3

2013-04-20 03:26:41

Re: RE: [Gamess-uk-users] optimization / frequency calculation

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

1

3

2013-04-20 03:26:40

Re: RE: [Gamess-uk-users] servec documentation

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

1

2

2013-04-20 03:26:40

Re: Re: [Gamess-uk-users] memory run out

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

1

4

2013-04-20 03:26:39

Re: RE: [Gamess-uk-users] optimization / frequency calculation

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

1

3

2013-04-20 03:26:39

Re: Re: [Gamess-uk-users] memory run out

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

1

2

2013-04-20 03:26:39

Re: RE: [Gamess-uk-users] servec documentation

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

1

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2013-04-20 03:26:38

Re: Re: [Gamess-uk-users] servec documentation

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

1

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2013-04-20 03:26:38

Re: [Gamess-uk-users] servec, restart

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

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2013-04-20 03:26:38

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