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How do I stop getting emails?

Last post by magnus « 27 Feb 2015, 10:29
Replies: 1
by jdevine » 27 Feb 2015, 10:18

1 Replies

6229 Views

Last post by magnus
27 Feb 2015, 10:29
Periodic boundary condition and calculation of Verdet constant

Last post by taylor « 01 Jul 2020, 16:41
Replies: 1
by pchuy1906 » 21 Jun 2020, 17:17

1 Replies

4392 Views

Last post by taylor
01 Jul 2020, 16:41
How to compute phosphorescence rates

Last post by taylor « 02 May 2020, 13:53
Replies: 2
by ethan » 01 May 2020, 11:18

2 Replies

3114 Views

Last post by taylor
02 May 2020, 13:53
Modifying SCF integrals

Last post by Vsevolod « 08 Oct 2019, 23:55
Replies: 2
by Vsevolod » 07 Oct 2019, 19:36

2 Replies

5514 Views

Last post by Vsevolod
08 Oct 2019, 23:55
Dalton output format on the Basis Set Exchange

Last post by magnus « 25 Jun 2019, 20:42
Replies: 1
by bennyp » 03 Jun 2019, 18:04

1 Replies

3899 Views

Last post by magnus
25 Jun 2019, 20:42
Isotropic averages in dalton for 2nd order hyperpolarizability

Last post by rlt92 « 31 Dec 2018, 04:13
Replies: 1
by rlt92 » 25 Nov 2018, 07:34

1 Replies

2855 Views

Last post by rlt92
31 Dec 2018, 04:13
is it possible reboot a SOPPA-CCSD calculation?

Last post by marcos87 « 31 Oct 2018, 15:31
Replies: 2
by marcos87 » 31 Oct 2018, 14:46

2 Replies

3585 Views

Last post by marcos87
31 Oct 2018, 15:31
Accurate dipole moment

Last post by magnus « 27 Sep 2018, 20:54
Replies: 1
by agilemolecule » 27 Sep 2018, 05:45

1 Replies

3365 Views

Last post by magnus
27 Sep 2018, 20:54
Pipek-Mezey localization

Last post by viesser-renan « 18 Aug 2018, 15:37
Replies: 2
by viesser-renan » 20 Jul 2018, 17:14

2 Replies

3531 Views

Last post by viesser-renan
18 Aug 2018, 15:37
Garphical user interface (GUI)

Last post by warkaz « 12 Jul 2017, 22:03
Replies: 1
by saisudhakar » 17 Nov 2015, 12:17

1 Replies

8136 Views

Last post by warkaz
12 Jul 2017, 22:03
DALTON Output Files

Last post by magnus « 07 Apr 2017, 10:31
Replies: 1
by SlingShot » 03 Apr 2017, 09:03

1 Replies

3927 Views

Last post by magnus
07 Apr 2017, 10:31
Dalton forum is restored

Last post by magnus « 15 Mar 2017, 17:05
Replies: 2
by bast » 15 Mar 2017, 10:26

2 Replies

6477 Views

Last post by magnus
15 Mar 2017, 17:05
About hessian matrix printed out by .HESPUN

Last post by ankit7540 « 12 Dec 2016, 13:43
Replies: 2
by ankit7540 » 12 Dec 2016, 13:03

2 Replies

7528 Views

Last post by ankit7540
12 Dec 2016, 13:43
Natural orbital transition (NTO)

Last post by pablo « 15 Sep 2016, 20:52
Replies: 4
by eliezer » 15 Sep 2016, 15:03

4 Replies

12552 Views

Last post by pablo
15 Sep 2016, 20:52
cc3-f12

Last post by liuzhencc « 03 Sep 2016, 06:53

by liuzhencc » 03 Sep 2016, 06:53

0 Replies

13533 Views

Last post by liuzhencc
03 Sep 2016, 06:53
CC3

Last post by taylor « 17 Aug 2016, 08:48
Replies: 9
by mwb » 01 Aug 2016, 18:55

9 Replies

13840 Views

Last post by taylor
17 Aug 2016, 08:48
different molecules in an input file

Last post by hjaaj « 30 Jul 2016, 23:00
Replies: 2
by olicar » 21 Jul 2016, 13:41

2 Replies

6725 Views

Last post by hjaaj
30 Jul 2016, 23:00
Stopping ITC6 iterations

Last post by kennethruud « 05 Jul 2016, 11:13
Replies: 1
by vlado » 11 Apr 2016, 10:21

1 Replies

5466 Views

Last post by kennethruud
05 Jul 2016, 11:13
About Foster-Boys orbitals localization method on J-coupling

Last post by taylor « 23 May 2016, 09:38
Replies: 2
by marcos87 » 20 May 2016, 17:00

2 Replies

9755 Views

Last post by taylor
23 May 2016, 09:38
Is there something wrong with the molden.inp

Last post by stine_T « 13 May 2016, 18:06
Replies: 6
by stine_T » 13 May 2016, 15:13

6 Replies

9300 Views

Last post by stine_T
13 May 2016, 18:06
The tar.gz file is not printed

Last post by stine_T « 09 May 2016, 14:13
Replies: 20
by stine_T » 06 May 2016, 15:45

20 Replies

21091 Views

Last post by stine_T
09 May 2016, 14:13
How to visualize interlocking spheres?

Last post by il_freddy « 30 Mar 2016, 14:59
Replies: 4
by varuniitr » 30 Mar 2016, 14:04

4 Replies

8183 Views

Last post by il_freddy
30 Mar 2016, 14:59
Response theory using PEQM

Last post by mehboob.cu « 29 Dec 2015, 11:27
Replies: 4
by mehboob.cu » 27 Dec 2015, 11:25

4 Replies

10206 Views

Last post by mehboob.cu
29 Dec 2015, 11:27
How to add external magnetic field in Dalton

Last post by taylor « 25 Dec 2015, 18:41
Replies: 1
by Yanxh » 24 Dec 2015, 02:38

1 Replies

5223 Views

Last post by taylor
25 Dec 2015, 18:41
visualization software

Last post by arnfinn « 02 Dec 2015, 12:25
Replies: 11
by RickV » 20 Feb 2014, 15:00

11 Replies

23240 Views

Last post by arnfinn
02 Dec 2015, 12:25
Polarizability anisotropy derivatives

Last post by ankit7540 « 31 Oct 2015, 08:15
Replies: 2
by ankit7540 » 23 Sep 2015, 09:19

2 Replies

7818 Views

Last post by ankit7540
31 Oct 2015, 08:15
Check running status or run queue

Last post by taylor « 30 Oct 2015, 13:47
Replies: 6
by ankit7540 » 28 Oct 2015, 06:15

6 Replies

10883 Views

Last post by taylor
30 Oct 2015, 13:47
Details in Dipole Moment Calculations

Last post by taylor « 21 Sep 2015, 09:26
Replies: 3
by dinpajooh » 20 Sep 2015, 23:11

3 Replies

9663 Views

Last post by taylor
21 Sep 2015, 09:26
How to generate TPA spectra?

Last post by lyzhao « 15 Sep 2015, 00:40
Replies: 3
by varuniitr » 14 Sep 2015, 10:45

3 Replies

8280 Views

Last post by lyzhao
15 Sep 2015, 00:40
Performance: MPI (OpenMPI) vs. threaded (OpenMP)

Last post by bast « 24 Apr 2015, 18:52
Replies: 9
by ejberquist » 16 Mar 2015, 19:43

9 Replies

19274 Views

Last post by bast
24 Apr 2015, 18:52
Pair Densities in Dalton

Last post by hjaaj « 01 Mar 2015, 14:38
Replies: 1
by periodic » 20 Jan 2015, 11:19

1 Replies

5963 Views

Last post by hjaaj
01 Mar 2015, 14:38
Dalton licences auto system need to be fixed?

Last post by lyzhao « 24 Feb 2015, 14:10

by lyzhao » 24 Feb 2015, 14:10

0 Replies

7739 Views

Last post by lyzhao
24 Feb 2015, 14:10
Dalton 2.0

Last post by drogersedb « 11 Feb 2015, 11:06
Replies: 4
by oblada » 19 May 2014, 14:11

4 Replies

8966 Views

Last post by drogersedb
11 Feb 2015, 11:06
calculation of aggregates

Last post by RickV « 07 Jan 2015, 10:03
Replies: 5
by RickV » 06 Jan 2015, 10:02

5 Replies

9574 Views

Last post by RickV
07 Jan 2015, 10:03
DFT functionals

Last post by arnfinn « 15 Dec 2014, 12:48
Replies: 4
by Joanna » 18 Dec 2013, 14:59

4 Replies

9635 Views

Last post by arnfinn
15 Dec 2014, 12:48
Nonlinear response definition in Dalton

Last post by olav « 08 Dec 2014, 15:06
Replies: 1
by dawsphys » 04 Dec 2014, 23:31

1 Replies

5793 Views

Last post by olav
08 Dec 2014, 15:06
(external) basis sets

Last post by taylor « 02 Dec 2014, 11:19
Replies: 1
by stefan » 02 Dec 2014, 10:41

1 Replies

6858 Views

Last post by taylor
02 Dec 2014, 11:19
CCSD(T) of embedded cluster, parallel run

Last post by AlexMazheika « 26 Oct 2014, 12:00
Replies: 4
by AlexMazheika » 24 Oct 2014, 16:17

4 Replies

10445 Views

Last post by AlexMazheika
26 Oct 2014, 12:00
How to install an compile gmolden5.1.macoX.64 on MAC OS X?

Last post by arnfinn « 23 Oct 2014, 09:52
Replies: 3
by xiongyan21 » 23 Oct 2014, 09:38

3 Replies

8688 Views

Last post by arnfinn
23 Oct 2014, 09:52
visualization of charge density

Last post by bast « 17 Oct 2014, 22:18
Replies: 3
by jiachen » 15 Oct 2014, 02:36

3 Replies

7702 Views

Last post by bast
17 Oct 2014, 22:18
Dalton output in Gabedit

Last post by kaushikhatua « 01 Sep 2014, 13:58

by kaushikhatua » 01 Sep 2014, 13:58

0 Replies

7802 Views

Last post by kaushikhatua
01 Sep 2014, 13:58
interpretation of ccsd excited state

Last post by kaushikhatua « 09 Aug 2014, 04:28

by kaushikhatua » 09 Aug 2014, 04:28

0 Replies

7732 Views

Last post by kaushikhatua
09 Aug 2014, 04:28
difference between CPHF and TDHF calculations

Last post by varuniitr « 20 May 2014, 06:35

by varuniitr » 20 May 2014, 06:35

0 Replies

7613 Views

Last post by varuniitr
20 May 2014, 06:35
Static first hyperpolarisability.

Last post by taylor « 19 May 2014, 07:04
Replies: 1
by varuniitr » 19 May 2014, 06:52

1 Replies

5910 Views

Last post by taylor
19 May 2014, 07:04
How to understand the negative two-photon transition strengt

Last post by lyzhao « 19 May 2014, 03:23

by lyzhao » 19 May 2014, 03:23

0 Replies

8451 Views

Last post by lyzhao
19 May 2014, 03:23
starting coordinates

Last post by RickV « 28 Feb 2014, 10:42
Replies: 2
by RickV » 28 Feb 2014, 10:27

2 Replies

6520 Views

Last post by RickV
28 Feb 2014, 10:42

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