The CASINO program

New Topic

171 topics

Topics

Replies

Views

Last post

Bug report & feature request for adf2stowf.py utility

Last post by Vladimir_Konjkov « Sun Jun 21, 2026 8:09 am
Replies: 7
by Vladimir_Konjkov » Wed Sep 10, 2025 9:59 am

7 Replies

140876 Views

Last post by Vladimir_Konjkov
Sun Jun 21, 2026 8:09 am
Backflow term omega hinders optimization

Last post by Vladimir_Konjkov « Mon Nov 24, 2025 2:44 am
Replies: 2
by Vladimir_Konjkov » Thu Nov 20, 2025 2:38 pm

2 Replies

47420 Views

Last post by Vladimir_Konjkov
Mon Nov 24, 2025 2:44 am
Projection of a SJ WFN onto a CISD Basis via Stochastic Evaluation

Last post by Vladimir_Konjkov « Sat Sep 27, 2025 3:29 am
Replies: 1
by Vladimir_Konjkov » Fri Sep 26, 2025 8:44 am

1 Replies

29055 Views

Last post by Vladimir_Konjkov
Sat Sep 27, 2025 3:29 am
Is CASINO an Acronym?

Last post by Mike Towler « Sun Aug 03, 2025 8:14 pm
Replies: 1
by Vladimir_Konjkov » Sun Aug 03, 2025 2:56 pm

1 Replies

166677 Views

Last post by Mike Towler
Sun Aug 03, 2025 8:14 pm
I congratulate the Casino developers for neural networks implementing in the code.

Last post by Neil Drummond « Tue May 06, 2025 3:55 pm
Replies: 3
by Vladimir_Konjkov » Sat Apr 26, 2025 2:20 am

3 Replies

189234 Views

Last post by Neil Drummond
Tue May 06, 2025 3:55 pm
Open Boundary Condition in CASINO

Last post by Neil Drummond « Tue May 06, 2025 3:51 pm
Replies: 1
by jiahuinie » Mon Nov 11, 2024 8:04 am

1 Replies

86562 Views

Last post by Neil Drummond
Tue May 06, 2025 3:51 pm
molden2qmc

Last post by Vladimir_Konjkov « Fri Nov 01, 2024 5:16 am
Replies: 46
by Vladimir_Konjkov » Wed Apr 29, 2015 1:45 pm
1

2

3

4

5
46 Replies

1155423 Views

Last post by Vladimir_Konjkov
Fri Nov 01, 2024 5:16 am
gautol

Last post by Neil Drummond « Mon Sep 30, 2024 5:32 pm
Replies: 1
by Vladimir_Konjkov » Mon Sep 30, 2024 6:16 am

1 Replies

64724 Views

Last post by Neil Drummond
Mon Sep 30, 2024 5:32 pm
DMC without loadbalancing

Last post by Neil Drummond « Fri Sep 06, 2024 4:53 pm
Replies: 4
by Vladimir_Konjkov » Fri Sep 06, 2024 3:11 am

4 Replies

109198 Views

Last post by Neil Drummond
Fri Sep 06, 2024 4:53 pm
g-orbitals test for STO basis

Last post by Vladimir_Konjkov « Sat Mar 30, 2024 6:06 am

by Vladimir_Konjkov » Sat Mar 30, 2024 6:06 am

0 Replies

166332 Views

Last post by Vladimir_Konjkov
Sat Mar 30, 2024 6:06 am
Nitrogen molecule with PP and AE atoms.

Last post by Vladimir_Konjkov « Fri Jan 19, 2024 12:42 pm
Replies: 8
by Vladimir_Konjkov » Sat Jan 13, 2024 2:09 pm

8 Replies

154875 Views

Last post by Vladimir_Konjkov
Fri Jan 19, 2024 12:42 pm
"CASINO current beta" can not be downloaded?

Last post by Mike Towler « Fri Jan 12, 2024 5:10 pm
Replies: 1
by Xuebin_Wu » Sat Dec 30, 2023 1:39 am

1 Replies

94983 Views

Last post by Mike Towler
Fri Jan 12, 2024 5:10 pm
Calculation of forces in QMC

Last post by Vladimir_Konjkov « Thu Nov 09, 2023 5:35 am
Replies: 15
by Vladimir_Konjkov » Wed Apr 22, 2015 5:29 pm
1

2
15 Replies

176943 Views

Last post by Vladimir_Konjkov
Thu Nov 09, 2023 5:35 am
Problem with pseudopotential transformation

Last post by Vladimir_Konjkov « Wed Nov 01, 2023 12:21 pm
Replies: 4
by Eike Caldeweyher » Mon Sep 16, 2013 2:41 pm

4 Replies

85602 Views

Last post by Vladimir_Konjkov
Wed Nov 01, 2023 12:21 pm
Web site problem

Last post by vallico « Tue Oct 24, 2023 8:04 pm
Replies: 2
by Xuebin_Wu » Tue Oct 24, 2023 12:53 pm

2 Replies

57362 Views

Last post by vallico
Tue Oct 24, 2023 8:04 pm
Order for spin-pairs in electron systems

Last post by Neil Drummond « Tue Mar 07, 2023 10:07 am
Replies: 3
by Vladimir_Konjkov » Tue Mar 07, 2023 7:56 am

3 Replies

113669 Views

Last post by Neil Drummond
Tue Mar 07, 2023 10:07 am
Stat inefficiency

Last post by Vladimir_Konjkov « Mon Jan 31, 2022 3:39 pm
Replies: 7
by Vladimir_Konjkov » Sun Jan 23, 2022 7:06 am

7 Replies

106377 Views

Last post by Vladimir_Konjkov
Mon Jan 31, 2022 3:39 pm
backflow issue when C=0

Last post by Pablo_Lopez_Rios « Fri Apr 16, 2021 7:14 pm
Replies: 7
by Vladimir_Konjkov » Wed Apr 14, 2021 9:41 am

7 Replies

178894 Views

Last post by Pablo_Lopez_Rios
Fri Apr 16, 2021 7:14 pm
Problem obtaining static structure factor

Last post by Neil Drummond « Tue Mar 23, 2021 8:59 am
Replies: 3
by ankush » Mon Mar 22, 2021 5:49 pm

3 Replies

74935 Views

Last post by Neil Drummond
Tue Mar 23, 2021 8:59 am
About dtvmc and PCF

Last post by Neil Drummond « Sun May 17, 2020 10:35 am
Replies: 1
by ankush » Sat May 16, 2020 8:21 am

1 Replies

74298 Views

Last post by Neil Drummond
Sun May 17, 2020 10:35 am
Autotest for cutoffs optimization

Last post by Mike Towler « Mon May 04, 2020 3:10 pm
Replies: 10
by Vladimir_Konjkov » Fri May 01, 2020 3:07 pm
1

2
10 Replies

287951 Views

Last post by Mike Towler
Mon May 04, 2020 3:10 pm
New required citation for publications using CASINO

Last post by Vladimir_Konjkov « Mon Apr 27, 2020 5:38 am
Replies: 3
by Neil Drummond » Wed Apr 22, 2020 12:27 pm

3 Replies

81361 Views

Last post by Vladimir_Konjkov
Mon Apr 27, 2020 5:38 am
Wrong option, try again..

Last post by Mike Towler « Sun Apr 26, 2020 12:51 pm
Replies: 1
by Vladimir_Konjkov » Sun Apr 26, 2020 12:35 pm

1 Replies

117080 Views

Last post by Mike Towler
Sun Apr 26, 2020 12:51 pm
Errors during casino installation (v2.13.802-1-g198d8d47)

Last post by Sharma_Omprakash « Thu Aug 29, 2019 7:28 am
Replies: 3
by Sharma_Omprakash » Wed Aug 28, 2019 10:01 am

3 Replies

85955 Views

Last post by Sharma_Omprakash
Thu Aug 29, 2019 7:28 am
Multi-geminal wave functions

Last post by Vladimir_Konjkov « Thu Jun 06, 2019 3:24 am
Replies: 13
by Fan_Wang » Wed May 22, 2019 7:50 am
1

2
13 Replies

3204083 Views

Last post by Vladimir_Konjkov
Thu Jun 06, 2019 3:24 am
Wave function failed kinetic energy check

Last post by Fan_Wang « Thu May 23, 2019 1:40 am
Replies: 2
by Fan_Wang » Wed May 22, 2019 7:08 am

2 Replies

77657 Views

Last post by Fan_Wang
Thu May 23, 2019 1:40 am
spin symmetry in the Jastrow factor

Last post by Vladimir_Konjkov « Tue Jan 15, 2019 7:07 am
Replies: 3
by Alan_Todd_Yeates » Mon Aug 13, 2018 5:58 pm

3 Replies

86745 Views

Last post by Vladimir_Konjkov
Tue Jan 15, 2019 7:07 am
How to get (Effective Core Potential) ECP into CASINO format

Last post by Mike Towler « Tue Dec 04, 2018 9:57 am
Replies: 4
by Philip_Hoggan » Thu Nov 22, 2018 12:32 pm

4 Replies

146199 Views

Last post by Mike Towler
Tue Dec 04, 2018 9:57 am
Promotion order matters

Last post by Pablo_Lopez_Rios « Fri Nov 23, 2018 12:11 pm
Replies: 1
by Vladimir_Konjkov » Fri Nov 16, 2018 4:31 pm

1 Replies

71121 Views

Last post by Pablo_Lopez_Rios
Fri Nov 23, 2018 12:11 pm
Optimization problem of the AE CUTOFFS

Last post by Vladimir_Konjkov « Thu Oct 11, 2018 3:48 am
Replies: 8
by Braulio_Brito » Tue Sep 12, 2017 2:09 pm

8 Replies

117635 Views

Last post by Vladimir_Konjkov
Thu Oct 11, 2018 3:48 am
CASINO publications...

Last post by Neil Drummond « Sun Oct 07, 2018 10:17 am

by Neil Drummond » Sun Oct 07, 2018 10:17 am

0 Replies

192286 Views

Last post by Neil Drummond
Sun Oct 07, 2018 10:17 am
compiler errors - not accepting certain directives

Last post by Neil Drummond « Sun Oct 07, 2018 10:04 am
Replies: 1
by Alan_Todd_Yeates » Wed Sep 19, 2018 6:41 pm

1 Replies

72392 Views

Last post by Neil Drummond
Sun Oct 07, 2018 10:04 am
backflow to the g-orbitals

Last post by Vladimir_Konjkov « Sat Sep 22, 2018 5:22 am
Replies: 17
by Vladimir_Konjkov » Tue Nov 28, 2017 4:04 am
1

2
17 Replies

290346 Views

Last post by Vladimir_Konjkov
Sat Sep 22, 2018 5:22 am
Automation of DFT and QMC

Last post by Vladimir_Konjkov « Tue Aug 14, 2018 4:55 am
Replies: 8
by Mariapia_Marchi » Thu May 29, 2014 12:44 pm

8 Replies

159092 Views

Last post by Vladimir_Konjkov
Tue Aug 14, 2018 4:55 am
where is envmc

Last post by Alan_Todd_Yeates « Tue Jul 17, 2018 9:23 pm
Replies: 2
by Alan_Todd_Yeates » Thu Jul 12, 2018 5:44 pm

2 Replies

77477 Views

Last post by Alan_Todd_Yeates
Tue Jul 17, 2018 9:23 pm
fractional power basis issue on restart

Last post by Vladimir_Konjkov « Mon Jun 04, 2018 1:49 am
Replies: 2
by Vladimir_Konjkov » Sat Jun 02, 2018 4:38 pm

2 Replies

77262 Views

Last post by Vladimir_Konjkov
Mon Jun 04, 2018 1:49 am
Combine CASL and generic format

Last post by Pablo_Lopez_Rios « Sun May 06, 2018 4:48 pm
Replies: 3
by Vladimir_Konjkov » Sat Nov 11, 2017 5:05 am

3 Replies

83039 Views

Last post by Pablo_Lopez_Rios
Sun May 06, 2018 4:48 pm
Tutorial for DMC using MCSCF trial wfn

Last post by Vladimir_Konjkov « Fri May 04, 2018 5:54 am
Replies: 2
by Dawes » Thu Nov 19, 2015 2:12 pm

2 Replies

79646 Views

Last post by Vladimir_Konjkov
Fri May 04, 2018 5:54 am
N2 DMC energy is better then exact

Last post by Vladimir_Konjkov « Tue Mar 13, 2018 2:49 pm
Replies: 10
by Vladimir_Konjkov » Fri Mar 09, 2018 12:12 pm
1

2
10 Replies

182583 Views

Last post by Vladimir_Konjkov
Tue Mar 13, 2018 2:49 pm
Cartesian vs spherical gaussian WFN representation

Last post by Vladimir_Konjkov « Thu Jan 18, 2018 8:15 am

by Vladimir_Konjkov » Thu Jan 18, 2018 8:15 am

0 Replies

195194 Views

Last post by Vladimir_Konjkov
Thu Jan 18, 2018 8:15 am
Accelerated Metropolis Method

Last post by Neil Drummond « Wed Jan 03, 2018 4:41 pm
Replies: 1
by Vladimir_Konjkov » Wed Jan 03, 2018 11:51 am

1 Replies

73939 Views

Last post by Neil Drummond
Wed Jan 03, 2018 4:41 pm
memory requirements in dmc

Last post by Mike Towler « Wed Jan 03, 2018 12:09 pm
Replies: 7
by Katharina Doblhoff » Thu Nov 02, 2017 3:32 pm

7 Replies

175388 Views

Last post by Mike Towler
Wed Jan 03, 2018 12:09 pm
parallel version breaks on multi determinant WFN

Last post by Mike Towler « Mon Jan 01, 2018 11:50 am
Replies: 4
by Vladimir_Konjkov » Fri Dec 29, 2017 7:23 pm

4 Replies

141488 Views

Last post by Mike Towler
Mon Jan 01, 2018 11:50 am
isotope definition + excited states

Last post by s.nasiri « Sun Dec 24, 2017 7:06 am
Replies: 4
by s.nasiri » Wed Sep 25, 2013 12:07 pm

4 Replies

100901 Views

Last post by s.nasiri
Sun Dec 24, 2017 7:06 am
gjastrow and cutoffs

Last post by Pablo_Lopez_Rios « Fri Nov 10, 2017 7:23 pm
Replies: 5
by Katharina Doblhoff » Fri Nov 10, 2017 1:23 pm

5 Replies

106400 Views

Last post by Pablo_Lopez_Rios
Fri Nov 10, 2017 7:23 pm
orbital optimization doesn't find config data

Last post by Vladimir_Konjkov « Fri Nov 10, 2017 10:21 am
Replies: 4
by Vladimir_Konjkov » Thu Nov 09, 2017 4:55 pm

4 Replies

93544 Views

Last post by Vladimir_Konjkov
Fri Nov 10, 2017 10:21 am
Too many tokens supplied. Please increase the mdet_max_mods

Last post by Pablo_Lopez_Rios « Fri Oct 06, 2017 7:42 am
Replies: 2
by s.nasiri » Mon Jul 31, 2017 11:51 am

2 Replies

80854 Views

Last post by Pablo_Lopez_Rios
Fri Oct 06, 2017 7:42 am
Changing decorr length in vmc for varmin_linjas and emin?!

Last post by Katharina Doblhoff « Fri Sep 29, 2017 12:50 pm
Replies: 19
by Katharina Doblhoff » Thu Sep 07, 2017 9:40 am
1

2
19 Replies

261796 Views

Last post by Katharina Doblhoff
Fri Sep 29, 2017 12:50 pm
Is CASINO QMC realy linear scaling?

Last post by Neil Drummond « Mon Sep 04, 2017 12:39 pm
Replies: 1
by Vladimir_Konjkov » Mon Sep 04, 2017 12:13 pm

1 Replies

72788 Views

Last post by Neil Drummond
Mon Sep 04, 2017 12:39 pm
Utils to plot JASTROW term

Last post by Pablo_Lopez_Rios « Wed Aug 30, 2017 6:39 am
Replies: 3
by Vladimir_Konjkov » Sun Aug 27, 2017 2:29 pm

3 Replies

87006 Views

Last post by Pablo_Lopez_Rios
Wed Aug 30, 2017 6:39 am

New Topic

171 topics

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum