General discussion of the Cambridge quantum Monte Carlo code CASINO; how to install and setup; how to use it; what it does; applications.
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- About dtvmc and PCF
by ankush » Sat May 16, 2020 8:21 am
- 1 Replies
- 6608 Views
- Last post by Neil Drummond
Sun May 17, 2020 10:35 am
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- Autotest for cutoffs optimization
by Vladimir_Konjkov » Fri May 01, 2020 3:07 pm
- 10 Replies
- 9082 Views
- Last post by Mike Towler
Mon May 04, 2020 3:10 pm
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- New required citation for publications using CASINO
by Neil Drummond » Wed Apr 22, 2020 12:27 pm
- 3 Replies
- 4795 Views
- Last post by Vladimir_Konjkov
Mon Apr 27, 2020 5:38 am
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- Wrong option, try again..
by Vladimir_Konjkov » Sun Apr 26, 2020 12:35 pm
- 1 Replies
- 3651 Views
- Last post by Mike Towler
Sun Apr 26, 2020 12:51 pm
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- Errors during casino installation (v2.13.802-1-g198d8d47)
by Sharma_Omprakash » Wed Aug 28, 2019 10:01 am
- 3 Replies
- 11280 Views
- Last post by Sharma_Omprakash
Thu Aug 29, 2019 7:28 am
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- Multi-geminal wave functions
by Fan_Wang » Wed May 22, 2019 7:50 am
- 13 Replies
- 16375 Views
- Last post by Vladimir_Konjkov
Thu Jun 06, 2019 3:24 am
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- Wave function failed kinetic energy check
by Fan_Wang » Wed May 22, 2019 7:08 am
- 2 Replies
- 6984 Views
- Last post by Fan_Wang
Thu May 23, 2019 1:40 am
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- spin symmetry in the Jastrow factor
by Alan_Todd_Yeates » Mon Aug 13, 2018 5:58 pm
- 3 Replies
- 9327 Views
- Last post by Vladimir_Konjkov
Tue Jan 15, 2019 7:07 am
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- How to get (Effective Core Potential) ECP into CASINO format
by Philip_Hoggan » Thu Nov 22, 2018 12:32 pm
- 4 Replies
- 8610 Views
- Last post by Mike Towler
Tue Dec 04, 2018 9:57 am
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- Promotion order matters
by Vladimir_Konjkov » Fri Nov 16, 2018 4:31 pm
- 1 Replies
- 6847 Views
- Last post by Pablo_Lopez_Rios
Fri Nov 23, 2018 12:11 pm
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- Optimization problem of the AE CUTOFFS
by Braulio_Brito » Tue Sep 12, 2017 2:09 pm
- 8 Replies
- 15523 Views
- Last post by Vladimir_Konjkov
Thu Oct 11, 2018 3:48 am
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- CASINO publications...
by Neil Drummond » Sun Oct 07, 2018 10:17 am
- 0 Replies
- 7010 Views
- Last post by Neil Drummond
Sun Oct 07, 2018 10:17 am
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- compiler errors - not accepting certain directives
by Alan_Todd_Yeates » Wed Sep 19, 2018 6:41 pm
- 1 Replies
- 6914 Views
- Last post by Neil Drummond
Sun Oct 07, 2018 10:04 am
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- backflow to the g-orbitals
by Vladimir_Konjkov » Tue Nov 28, 2017 4:04 am
- 17 Replies
- 29881 Views
- Last post by Vladimir_Konjkov
Sat Sep 22, 2018 5:22 am
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- Automation of DFT and QMC
by Mariapia_Marchi » Thu May 29, 2014 12:44 pm
- 8 Replies
- 20923 Views
- Last post by Vladimir_Konjkov
Tue Aug 14, 2018 4:55 am
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- where is envmc
by Alan_Todd_Yeates » Thu Jul 12, 2018 5:44 pm
- 2 Replies
- 8937 Views
- Last post by Alan_Todd_Yeates
Tue Jul 17, 2018 9:23 pm
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- fractional power basis issue on restart
by Vladimir_Konjkov » Sat Jun 02, 2018 4:38 pm
- 2 Replies
- 8273 Views
- Last post by Vladimir_Konjkov
Mon Jun 04, 2018 1:49 am
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- Combine CASL and generic format
by Vladimir_Konjkov » Sat Nov 11, 2017 5:05 am
- 3 Replies
- 9958 Views
- Last post by Pablo_Lopez_Rios
Sun May 06, 2018 4:48 pm
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- Tutorial for DMC using MCSCF trial wfn
by Dawes » Thu Nov 19, 2015 2:12 pm
- 2 Replies
- 9765 Views
- Last post by Vladimir_Konjkov
Fri May 04, 2018 5:54 am
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- N2 DMC energy is better then exact
by Vladimir_Konjkov » Fri Mar 09, 2018 12:12 pm
- 10 Replies
- 23493 Views
- Last post by Vladimir_Konjkov
Tue Mar 13, 2018 2:49 pm
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- Cartesian vs spherical gaussian WFN representation
by Vladimir_Konjkov » Thu Jan 18, 2018 8:15 am
- 0 Replies
- 8378 Views
- Last post by Vladimir_Konjkov
Thu Jan 18, 2018 8:15 am
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- Accelerated Metropolis Method
by Vladimir_Konjkov » Wed Jan 03, 2018 11:51 am
- 1 Replies
- 7923 Views
- Last post by Neil Drummond
Wed Jan 03, 2018 4:41 pm
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- memory requirements in dmc
by Katharina Doblhoff » Thu Nov 02, 2017 3:32 pm
- 7 Replies
- 14223 Views
- Last post by Mike Towler
Wed Jan 03, 2018 12:09 pm
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- parallel version breaks on multi determinant WFN
by Vladimir_Konjkov » Fri Dec 29, 2017 7:23 pm
- 4 Replies
- 11355 Views
- Last post by Mike Towler
Mon Jan 01, 2018 11:50 am
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- isotope definition + excited states
by s.nasiri » Wed Sep 25, 2013 12:07 pm
- 4 Replies
- 14207 Views
- Last post by s.nasiri
Sun Dec 24, 2017 7:06 am
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- gjastrow and cutoffs
by Katharina Doblhoff » Fri Nov 10, 2017 1:23 pm
- 5 Replies
- 11942 Views
- Last post by Pablo_Lopez_Rios
Fri Nov 10, 2017 7:23 pm
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- orbital optimization doesn't find config data
by Vladimir_Konjkov » Thu Nov 09, 2017 4:55 pm
- 4 Replies
- 10911 Views
- Last post by Vladimir_Konjkov
Fri Nov 10, 2017 10:21 am
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- Too many tokens supplied. Please increase the mdet_max_mods
by s.nasiri » Mon Jul 31, 2017 11:51 am
- 2 Replies
- 9171 Views
- Last post by Pablo_Lopez_Rios
Fri Oct 06, 2017 7:42 am
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- Changing decorr length in vmc for varmin_linjas and emin?!
by Katharina Doblhoff » Thu Sep 07, 2017 9:40 am
- 19 Replies
- 30971 Views
- Last post by Katharina Doblhoff
Fri Sep 29, 2017 12:50 pm
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- Is CASINO QMC realy linear scaling?
by Vladimir_Konjkov » Mon Sep 04, 2017 12:13 pm
- 1 Replies
- 7972 Views
- Last post by Neil Drummond
Mon Sep 04, 2017 12:39 pm
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- molden2qmc
by Vladimir_Konjkov » Wed Apr 29, 2015 1:45 pm
- 41 Replies
- 61653 Views
- Last post by Vladimir_Konjkov
Mon Sep 04, 2017 10:38 am
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- Utils to plot JASTROW term
by Vladimir_Konjkov » Sun Aug 27, 2017 2:29 pm
- 3 Replies
- 9758 Views
- Last post by Pablo_Lopez_Rios
Wed Aug 30, 2017 6:39 am
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- varmin gives NaN
by Katharina Doblhoff » Thu Aug 24, 2017 8:10 am
- 12 Replies
- 20887 Views
- Last post by Katharina Doblhoff
Fri Aug 25, 2017 1:33 pm
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- Diborane Jastrow optimization
by Vladimir_Konjkov » Wed Aug 23, 2017 5:39 am
- 7 Replies
- 15138 Views
- Last post by Pablo_Lopez_Rios
Thu Aug 24, 2017 9:09 am
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- envmc matrix inversion not converged
by Katharina Doblhoff » Tue Jul 11, 2017 2:59 pm
- 1 Replies
- 8062 Views
- Last post by Katharina Doblhoff
Fri Aug 11, 2017 8:31 am
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- Invalid shell type specified in basis
by s.nasiri » Wed Jul 12, 2017 1:37 pm
- 4 Replies
- 10851 Views
- Last post by Mike Towler
Thu Jul 13, 2017 10:04 am
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- request for additional rule in CASL JASTROW
by Vladimir_Konjkov » Fri Jun 23, 2017 2:15 pm
- 1 Replies
- 7970 Views
- Last post by Vladimir_Konjkov
Thu Jul 13, 2017 8:33 am
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- runtime error for 12 determinants wfn
by Vladimir_Konjkov » Fri Jun 30, 2017 1:18 pm
- 5 Replies
- 11774 Views
- Last post by Vladimir_Konjkov
Thu Jul 06, 2017 1:14 pm
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- Rules for term Rank: [ 3, 1 ]
by Vladimir_Konjkov » Thu May 18, 2017 8:39 am
- 2 Replies
- 8589 Views
- Last post by Vladimir_Konjkov
Thu May 18, 2017 10:05 am
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- Indexes in correlation.data file
by Vladimir_Konjkov » Sat Apr 29, 2017 5:24 pm
- 2 Replies
- 9129 Views
- Last post by Vladimir_Konjkov
Sun Apr 30, 2017 2:26 am
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- Optimization of pairing orbitals for symmetric e-h bilayer.
by Sharma_Omprakash » Fri Mar 03, 2017 11:29 am
- 5 Replies
- 11750 Views
- Last post by Sharma_Omprakash
Fri Mar 31, 2017 2:04 pm
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- Regarding walltime for long queue
by vinod_ashokan » Fri Mar 03, 2017 6:49 am
- 9 Replies
- 16982 Views
- Last post by Neil Drummond
Thu Mar 30, 2017 10:59 am
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- runqmc stops without any error.
by Sharma_Omprakash » Sat Jan 07, 2017 4:55 pm
- 7 Replies
- 15186 Views
- Last post by Neil Drummond
Sun Jan 08, 2017 8:36 pm
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- getdet script
by s.nasiri » Tue Dec 27, 2016 5:50 pm
- 5 Replies
- 11474 Views
- Last post by Pablo_Lopez_Rios
Wed Dec 28, 2016 4:22 pm
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- Orbital optimization of the electron-hole system
by braulio » Wed Nov 23, 2016 4:19 pm
- 5 Replies
- 11822 Views
- Last post by braulio
Fri Dec 23, 2016 12:19 pm
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- Using casino for nuclear physics
by Shamil » Thu Dec 22, 2016 7:10 pm
- 1 Replies
- 8185 Views
- Last post by Shiv Upadhyay
Thu Dec 22, 2016 8:45 pm
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- Simple question about twistav_pwscf script
by Tomohiro Ichibha » Sat Dec 10, 2016 6:36 am
- 1 Replies
- 8206 Views
- Last post by Tomohiro Ichibha
Tue Dec 20, 2016 8:01 am
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- Question about dtdmc
by Ivan_Veloso » Mon Dec 19, 2016 12:20 pm
- 5 Replies
- 12356 Views
- Last post by Ryan_Hunt
Mon Dec 19, 2016 7:01 pm
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- [Known Bug] Warning for numerical orbital users
by Ryan_Hunt » Fri Nov 18, 2016 6:06 pm
- 1 Replies
- 8408 Views
- Last post by Mike Towler
Mon Nov 21, 2016 12:10 pm
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- The blip trial wave function
by Nguyen_Oanh » Mon Oct 31, 2016 4:54 am
- 7 Replies
- 14001 Views
- Last post by Neil Drummond
Wed Nov 02, 2016 10:24 pm
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