The CASINO forum
A forum for discussing quantum Monte Carlo and the Cambridge QMC code CASINO.[Online since June 2013]
CASINO home page
CASINO events
CASINO FAQ
CASINO manual
CASINO development log
The CASINO program
151 topics • Page 1 of 4 • 1, 2, 3, 4
-
- Topics
- Replies
- Views
- Last post
-
- Errors during casino installation (v2.13.802-1-g198d8d47)
by Sharma_Omprakash » Wed Aug 28, 2019 10:01 am - 3 Replies
- 2384 Views
- Last post by Sharma_Omprakash
Thu Aug 29, 2019 7:28 am
- Errors during casino installation (v2.13.802-1-g198d8d47)
-
- Multi-geminal wave functions
1, 2
by Fan_Wang » Wed May 22, 2019 7:50 am
- 13 Replies
- 2851 Views
- Last post by Vladimir_Konjkov
Thu Jun 06, 2019 3:24 am
- Multi-geminal wave functions
-
- Wave function failed kinetic energy check
by Fan_Wang » Wed May 22, 2019 7:08 am
- 2 Replies
- 1230 Views
- Last post by Fan_Wang
Thu May 23, 2019 1:40 am
- Wave function failed kinetic energy check
-
- spin symmetry in the Jastrow factor
by Alan_Todd_Yeates » Mon Aug 13, 2018 5:58 pm - 3 Replies
- 3005 Views
- Last post by Vladimir_Konjkov
Tue Jan 15, 2019 7:07 am
- spin symmetry in the Jastrow factor
-
- How to get (Effective Core Potential) ECP into CASINO format
by Philip_Hoggan » Thu Nov 22, 2018 12:32 pm - 4 Replies
- 1886 Views
- Last post by Mike Towler
Tue Dec 04, 2018 9:57 am
- How to get (Effective Core Potential) ECP into CASINO format
-
- Promotion order matters
by Vladimir_Konjkov » Fri Nov 16, 2018 4:31 pm - 1 Replies
- 1497 Views
- Last post by Pablo_Lopez_Rios
Fri Nov 23, 2018 12:11 pm
- Promotion order matters
-
- Optimization problem of the AE CUTOFFS
by Braulio_Brito » Tue Sep 12, 2017 2:09 pm
- 8 Replies
- 7432 Views
- Last post by Vladimir_Konjkov
Thu Oct 11, 2018 3:48 am
- Optimization problem of the AE CUTOFFS
-
- CASINO publications...
by Neil Drummond » Sun Oct 07, 2018 10:17 am - 0 Replies
- 1490 Views
- Last post by Neil Drummond
Sun Oct 07, 2018 10:17 am
- CASINO publications...
-
- compiler errors - not accepting certain directives
by Alan_Todd_Yeates » Wed Sep 19, 2018 6:41 pm - 1 Replies
- 1636 Views
- Last post by Neil Drummond
Sun Oct 07, 2018 10:04 am
- compiler errors - not accepting certain directives
-
- backflow to the g-orbitals
1, 2 by Vladimir_Konjkov » Tue Nov 28, 2017 4:04 am
- 17 Replies
- 15748 Views
- Last post by Vladimir_Konjkov
Sat Sep 22, 2018 5:22 am
- backflow to the g-orbitals
-
- Automation of DFT and QMC
by Mariapia_Marchi » Thu May 29, 2014 12:44 pm - 8 Replies
- 12645 Views
- Last post by Vladimir_Konjkov
Tue Aug 14, 2018 4:55 am
- Automation of DFT and QMC
-
- where is envmc
by Alan_Todd_Yeates » Thu Jul 12, 2018 5:44 pm - 2 Replies
- 3214 Views
- Last post by Alan_Todd_Yeates
Tue Jul 17, 2018 9:23 pm
- where is envmc
-
- fractional power basis issue on restart
by Vladimir_Konjkov » Sat Jun 02, 2018 4:38 pm
- 2 Replies
- 2648 Views
- Last post by Vladimir_Konjkov
Mon Jun 04, 2018 1:49 am
- fractional power basis issue on restart
-
- Combine CASL and generic format
by Vladimir_Konjkov » Sat Nov 11, 2017 5:05 am - 3 Replies
- 3982 Views
- Last post by Pablo_Lopez_Rios
Sun May 06, 2018 4:48 pm
- Combine CASL and generic format
-
- Tutorial for DMC using MCSCF trial wfn
by Dawes » Thu Nov 19, 2015 2:12 pm - 2 Replies
- 4014 Views
- Last post by Vladimir_Konjkov
Fri May 04, 2018 5:54 am
- Tutorial for DMC using MCSCF trial wfn
-
- N2 DMC energy is better then exact
1, 2 by Vladimir_Konjkov » Fri Mar 09, 2018 12:12 pm
- 10 Replies
- 12442 Views
- Last post by Vladimir_Konjkov
Tue Mar 13, 2018 2:49 pm
- N2 DMC energy is better then exact
-
- Cartesian vs spherical gaussian WFN representation
by Vladimir_Konjkov » Thu Jan 18, 2018 8:15 am - 0 Replies
- 2685 Views
- Last post by Vladimir_Konjkov
Thu Jan 18, 2018 8:15 am
- Cartesian vs spherical gaussian WFN representation
-
- Accelerated Metropolis Method
by Vladimir_Konjkov » Wed Jan 03, 2018 11:51 am - 1 Replies
- 2936 Views
- Last post by Neil Drummond
Wed Jan 03, 2018 4:41 pm
- Accelerated Metropolis Method
-
- memory requirements in dmc
by Katharina Doblhoff » Thu Nov 02, 2017 3:32 pm - 7 Replies
- 7064 Views
- Last post by Mike Towler
Wed Jan 03, 2018 12:09 pm
- memory requirements in dmc
-
- parallel version breaks on multi determinant WFN
by Vladimir_Konjkov » Fri Dec 29, 2017 7:23 pm
- 4 Replies
- 5070 Views
- Last post by Mike Towler
Mon Jan 01, 2018 11:50 am
- parallel version breaks on multi determinant WFN
-
- isotope definition + excited states
by s.nasiri » Wed Sep 25, 2013 12:07 pm - 4 Replies
- 7911 Views
- Last post by s.nasiri
Sun Dec 24, 2017 7:06 am
- isotope definition + excited states
-
- gjastrow and cutoffs
by Katharina Doblhoff » Fri Nov 10, 2017 1:23 pm - 5 Replies
- 5486 Views
- Last post by Pablo_Lopez_Rios
Fri Nov 10, 2017 7:23 pm
- gjastrow and cutoffs
-
- orbital optimization doesn't find config data
by Vladimir_Konjkov » Thu Nov 09, 2017 4:55 pm
- 4 Replies
- 4814 Views
- Last post by Vladimir_Konjkov
Fri Nov 10, 2017 10:21 am
- orbital optimization doesn't find config data
-
- Too many tokens supplied. Please increase the mdet_max_mods
by s.nasiri » Mon Jul 31, 2017 11:51 am - 2 Replies
- 3702 Views
- Last post by Pablo_Lopez_Rios
Fri Oct 06, 2017 7:42 am
- Too many tokens supplied. Please increase the mdet_max_mods
-
- Changing decorr length in vmc for varmin_linjas and emin?!
1, 2by Katharina Doblhoff » Thu Sep 07, 2017 9:40 am - 19 Replies
- 17381 Views
- Last post by Katharina Doblhoff
Fri Sep 29, 2017 12:50 pm
- Changing decorr length in vmc for varmin_linjas and emin?!
-
- Is CASINO QMC realy linear scaling?
by Vladimir_Konjkov » Mon Sep 04, 2017 12:13 pm - 1 Replies
- 2982 Views
- Last post by Neil Drummond
Mon Sep 04, 2017 12:39 pm
- Is CASINO QMC realy linear scaling?
-
- molden2qmc
1, 2, 3, 4, 5 by Vladimir_Konjkov » Wed Apr 29, 2015 1:45 pm
- 41 Replies
- 31531 Views
- Last post by Vladimir_Konjkov
Mon Sep 04, 2017 10:38 am
- molden2qmc
-
- Utils to plot JASTROW term
by Vladimir_Konjkov » Sun Aug 27, 2017 2:29 pm
- 3 Replies
- 4048 Views
- Last post by Pablo_Lopez_Rios
Wed Aug 30, 2017 6:39 am
- Utils to plot JASTROW term
-
- varmin gives NaN
1, 2by Katharina Doblhoff » Thu Aug 24, 2017 8:10 am - 12 Replies
- 9539 Views
- Last post by Katharina Doblhoff
Fri Aug 25, 2017 1:33 pm
- varmin gives NaN
-
- Diborane Jastrow optimization
by Vladimir_Konjkov » Wed Aug 23, 2017 5:39 am
- 7 Replies
- 7437 Views
- Last post by Pablo_Lopez_Rios
Thu Aug 24, 2017 9:09 am
- Diborane Jastrow optimization
-
- envmc matrix inversion not converged
by Katharina Doblhoff » Tue Jul 11, 2017 2:59 pm - 1 Replies
- 3069 Views
- Last post by Katharina Doblhoff
Fri Aug 11, 2017 8:31 am
- envmc matrix inversion not converged
-
- Invalid shell type specified in basis
by s.nasiri » Wed Jul 12, 2017 1:37 pm - 4 Replies
- 4573 Views
- Last post by Mike Towler
Thu Jul 13, 2017 10:04 am
- Invalid shell type specified in basis
-
- request for additional rule in CASL JASTROW
by Vladimir_Konjkov » Fri Jun 23, 2017 2:15 pm - 1 Replies
- 3000 Views
- Last post by Vladimir_Konjkov
Thu Jul 13, 2017 8:33 am
- request for additional rule in CASL JASTROW
-
- runtime error for 12 determinants wfn
by Vladimir_Konjkov » Fri Jun 30, 2017 1:18 pm
- 5 Replies
- 5419 Views
- Last post by Vladimir_Konjkov
Thu Jul 06, 2017 1:14 pm
- runtime error for 12 determinants wfn
-
- Rules for term Rank: [ 3, 1 ]
by Vladimir_Konjkov » Thu May 18, 2017 8:39 am - 2 Replies
- 3255 Views
- Last post by Vladimir_Konjkov
Thu May 18, 2017 10:05 am
- Rules for term Rank: [ 3, 1 ]
-
- Indexes in correlation.data file
by Vladimir_Konjkov » Sat Apr 29, 2017 5:24 pm - 2 Replies
- 3721 Views
- Last post by Vladimir_Konjkov
Sun Apr 30, 2017 2:26 am
- Indexes in correlation.data file
-
- Optimization of pairing orbitals for symmetric e-h bilayer.
by Sharma_Omprakash » Fri Mar 03, 2017 11:29 am - 5 Replies
- 5210 Views
- Last post by Sharma_Omprakash
Fri Mar 31, 2017 2:04 pm
- Optimization of pairing orbitals for symmetric e-h bilayer.
-
- Regarding walltime for long queue
by vinod_ashokan » Fri Mar 03, 2017 6:49 am
- 9 Replies
- 9042 Views
- Last post by Neil Drummond
Thu Mar 30, 2017 10:59 am
- Regarding walltime for long queue
-
- runqmc stops without any error.
by Sharma_Omprakash » Sat Jan 07, 2017 4:55 pm
- 7 Replies
- 7981 Views
- Last post by Neil Drummond
Sun Jan 08, 2017 8:36 pm
- runqmc stops without any error.
-
- getdet script
by s.nasiri » Tue Dec 27, 2016 5:50 pm - 5 Replies
- 5095 Views
- Last post by Pablo_Lopez_Rios
Wed Dec 28, 2016 4:22 pm
- getdet script
-
- Orbital optimization of the electron-hole system
by braulio » Wed Nov 23, 2016 4:19 pm
- 5 Replies
- 5397 Views
- Last post by braulio
Fri Dec 23, 2016 12:19 pm
- Orbital optimization of the electron-hole system
-
- Using casino for nuclear physics
by Shamil » Thu Dec 22, 2016 7:10 pm - 1 Replies
- 3086 Views
- Last post by Shiv Upadhyay
Thu Dec 22, 2016 8:45 pm
- Using casino for nuclear physics
-
- Simple question about twistav_pwscf script
by Tomohiro Ichibha » Sat Dec 10, 2016 6:36 am - 1 Replies
- 3122 Views
- Last post by Tomohiro Ichibha
Tue Dec 20, 2016 8:01 am
- Simple question about twistav_pwscf script
-
- Question about dtdmc
by Ivan_Veloso » Mon Dec 19, 2016 12:20 pm - 5 Replies
- 5812 Views
- Last post by Ryan_Hunt
Mon Dec 19, 2016 7:01 pm
- Question about dtdmc
-
- [Known Bug] Warning for numerical orbital users
by Ryan_Hunt » Fri Nov 18, 2016 6:06 pm - 1 Replies
- 3424 Views
- Last post by Mike Towler
Mon Nov 21, 2016 12:10 pm
- [Known Bug] Warning for numerical orbital users
-
- The blip trial wave function
by Nguyen_Oanh » Mon Oct 31, 2016 4:54 am - 7 Replies
- 6680 Views
- Last post by Neil Drummond
Wed Nov 02, 2016 10:24 pm
- The blip trial wave function
-
- Problem with runqmc script
by Jonasz_Sowada » Sat Oct 22, 2016 9:20 pm - 2 Replies
- 3570 Views
- Last post by Jonasz_Sowada
Sat Oct 29, 2016 7:15 pm
- Problem with runqmc script
-
- Compiling CASINO on Bluegene/Cetus
by Kayahan » Fri Sep 30, 2016 3:35 pm
- 1 Replies
- 3113 Views
- Last post by Kayahan
Thu Oct 27, 2016 7:24 pm
- Compiling CASINO on Bluegene/Cetus
-
- Calc. dying with memory issues after exec. of several blocks
by Katharina Doblhoff » Tue Oct 25, 2016 11:55 am - 5 Replies
- 4811 Views
- Last post by Katharina Doblhoff
Thu Oct 27, 2016 6:43 am
- Calc. dying with memory issues after exec. of several blocks
-
- Errors in Dos format
by Nguyen_Oanh » Wed Oct 26, 2016 7:15 am - 1 Replies
- 2819 Views
- Last post by Mike Towler
Wed Oct 26, 2016 9:18 am
- Errors in Dos format
151 topics • Page 1 of 4
• 1, 2, 3, 4
Who is online
Users browsing this forum: No registered users and 2 guests
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