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Please file bug reports on GitLab

Last post by magnus « 12 Sep 2019, 10:19

by magnus » 12 Sep 2019, 10:19

0 Replies

16084 Views

Last post by magnus
12 Sep 2019, 10:19
Dimensioning and label generation errors (ESR)

Last post by hjaaj « 13 Aug 2019, 09:17
Replies: 1
by taylor » 30 Jul 2019, 07:35

1 Replies

3931 Views

Last post by hjaaj
13 Aug 2019, 09:17
Mass Velocity Operator

Last post by juanjoaucar « 24 Jul 2019, 21:01

by juanjoaucar » 24 Jul 2019, 21:01

0 Replies

11277 Views

Last post by juanjoaucar
24 Jul 2019, 21:01
Molden input file in Jmol

Last post by taylor « 16 Jul 2018, 02:41

by taylor » 16 Jul 2018, 02:41

0 Replies

14709 Views

Last post by taylor
16 Jul 2018, 02:41
CC2 Energy: wrong MP2 values leading to failure

Last post by Jean Q. « 11 Sep 2017, 14:57
Replies: 10
by Jean Q. » 02 May 2017, 10:42

10 Replies

12095 Views

Last post by Jean Q.
11 Sep 2017, 14:57
Typo in integral definition for .EFGCAR?

Last post by olav « 23 Mar 2017, 13:17
Replies: 1
by ejberquist » 23 Mar 2017, 02:14

1 Replies

4433 Views

Last post by olav
23 Mar 2017, 13:17
[SOLVED] typos in manual 2016 p. 155 ?

Last post by kennethruud « 06 Jun 2016, 04:42
Replies: 1
by koput » 30 May 2016, 17:49

1 Replies

16893 Views

Last post by kennethruud
06 Jun 2016, 04:42
[SOLVED] Typos in manual under **RESPONSE/*LINEAR

Last post by hjaaj « 21 Apr 2016, 09:02
Replies: 1
by ejberquist » 20 Apr 2016, 21:06

1 Replies

6305 Views

Last post by hjaaj
21 Apr 2016, 09:02
Numerical geometry optimization with symmetry detection

Last post by taylor « 06 Mar 2016, 11:11
Replies: 6
by miro_ilias » 04 Mar 2016, 23:26

6 Replies

11300 Views

Last post by taylor
06 Mar 2016, 11:11
[SOLVED] Cannot obtain hyperpolarizabilities with CC3

Last post by xiongyan21 « 08 Feb 2016, 15:25
Replies: 12
by pierrebeaujean » 04 Feb 2016, 09:37

12 Replies

19483 Views

Last post by xiongyan21
08 Feb 2016, 15:25
Incorrect number of electrons and magnetizabilities

Last post by ejberquist « 22 Jan 2016, 20:08
Replies: 6
by ejberquist » 15 Jan 2016, 19:11

6 Replies

11363 Views

Last post by ejberquist
22 Jan 2016, 20:08
Error in Two-Photon Transition Moments with CC3

Last post by haettig « 17 Jan 2016, 22:02

by haettig » 17 Jan 2016, 22:02

0 Replies

14123 Views

Last post by haettig
17 Jan 2016, 22:02
ZPVC of Shielding not Independent of Molecule Orientation

Last post by taylor « 17 Jan 2016, 13:17
Replies: 12
by steska » 26 Nov 2015, 16:52

12 Replies

19952 Views

Last post by taylor
17 Jan 2016, 13:17
bug of excitation enetgy calculation by CC(2)-LRT

Last post by xiongyan21 « 28 Dec 2015, 13:52
Replies: 1
by zork » 27 Dec 2015, 17:50

1 Replies

6348 Views

Last post by xiongyan21
28 Dec 2015, 13:52
Why the phosphorescence lifetime is scaled by 3?

Last post by zork « 28 Dec 2015, 03:40

by zork » 28 Dec 2015, 03:40

0 Replies

12558 Views

Last post by zork
28 Dec 2015, 03:40
MCSCF EXCITA problem

Last post by frj « 22 Sep 2015, 08:40

by frj » 22 Sep 2015, 08:40

0 Replies

9653 Views

Last post by frj
22 Sep 2015, 08:40
LSDALTON LDA calculation in VTZ: wrong nb of electrons

Last post by tkjaer « 12 Feb 2015, 15:52
Replies: 1
by erebolini » 11 Feb 2015, 13:17

1 Replies

6955 Views

Last post by tkjaer
12 Feb 2015, 15:52
Correction to quadratic response restart from RESULTS.RSP

Last post by bast « 16 Oct 2014, 14:29
Replies: 1
by perttulantto » 15 Oct 2014, 08:42

1 Replies

7040 Views

Last post by bast
16 Oct 2014, 14:29
shielding vibrational average

Last post by frj « 18 Sep 2014, 08:01

by frj » 18 Sep 2014, 08:01

0 Replies

9423 Views

Last post by frj
18 Sep 2014, 08:01
ROHF response problems

Last post by taylor « 29 Aug 2014, 09:34
Replies: 13
by taylor » 26 Aug 2014, 04:27

13 Replies

23792 Views

Last post by taylor
29 Aug 2014, 09:34
Input file - order of atoms

Last post by abende « 18 Jun 2014, 12:04

by abende » 18 Jun 2014, 12:04

0 Replies

8358 Views

Last post by abende
18 Jun 2014, 12:04
"*CCFOP .DIPMOM" and "*CCEXGR .DIPOLE" can not be combined

Last post by lyzhao « 11 Jun 2014, 15:06
Replies: 1
by lyzhao » 06 Jun 2014, 14:25

1 Replies

6794 Views

Last post by lyzhao
11 Jun 2014, 15:06
Spin-Rotation constants

Last post by taylor « 06 Jun 2014, 09:33
Replies: 4
by uachstno » 25 May 2014, 13:30

4 Replies

12423 Views

Last post by taylor
06 Jun 2014, 09:33
CASSCF phosphorescence

Last post by frj « 22 May 2014, 06:50
Replies: 4
by frj » 18 May 2014, 19:29

4 Replies

11136 Views

Last post by frj
22 May 2014, 06:50
OPTIMIZE of MCSCF crashes for > 255 basis functions

Last post by hansh « 21 Mar 2014, 00:25
Replies: 7
by hansh » 04 Mar 2014, 19:57

7 Replies

19332 Views

Last post by hansh
21 Mar 2014, 00:25
Basis set label problem

Last post by arnfinn « 30 Jan 2014, 13:02
Replies: 2
by Rusakur » 21 Nov 2013, 08:50

2 Replies

10272 Views

Last post by arnfinn
30 Jan 2014, 13:02
NEVPT2 calculations

Last post by bast « 16 Jan 2014, 18:04
Replies: 3
by Max » 16 Jan 2014, 17:33

3 Replies

13671 Views

Last post by bast
16 Jan 2014, 18:04
The output file of Dalton2013.1 still read patch 0

Last post by bast « 26 Dec 2013, 15:14
Replies: 1
by Rintintin » 25 Dec 2013, 20:05

1 Replies

7320 Views

Last post by bast
26 Dec 2013, 15:14
relativistic corrections to the shielding

Last post by jmelo « 19 Nov 2013, 13:56
Replies: 2
by michaljz » 19 Nov 2013, 09:55

2 Replies

8847 Views

Last post by jmelo
19 Nov 2013, 13:56

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