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
144 topics • Page 1 of 3 • 1, 2, 3
-
- Topics
- Replies
- Views
- Last post
-
- Automation of DFT and QMC
by Mariapia_Marchi » Thu May 29, 2014 12:44 pm - 8 Replies
- 6761 Views
- Last post by Vladimir_Konjkov
Tue Aug 14, 2018 4:55 am
- Automation of DFT and QMC
-
- spin symmetry in the Jastrow factor
by Alan_Todd_Yeates » Mon Aug 13, 2018 5:58 pm - 0 Replies
- 749 Views
- Last post by Alan_Todd_Yeates
Mon Aug 13, 2018 5:58 pm
- spin symmetry in the Jastrow factor
-
- where is envmc
by Alan_Todd_Yeates » Thu Jul 12, 2018 5:44 pm - 2 Replies
- 1014 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
- 1046 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
- 1548 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
- 1710 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
- 4661 Views
- Last post by Vladimir_Konjkov
Tue Mar 13, 2018 2:49 pm
- N2 DMC energy is better then exact
-
- backflow to the g-orbitals
1, 2 by Vladimir_Konjkov » Tue Nov 28, 2017 4:04 am
- 16 Replies
- 5996 Views
- Last post by Vladimir_Konjkov
Mon Mar 12, 2018 6:06 am
- backflow to the g-orbitals
-
- Cartesian vs spherical gaussian WFN representation
by Vladimir_Konjkov » Thu Jan 18, 2018 8:15 am - 0 Replies
- 1119 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
- 1151 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
- 2528 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
- 1744 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
- 4982 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
- 2101 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
- 1830 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
- 1529 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
- 5310 Views
- Last post by Katharina Doblhoff
Fri Sep 29, 2017 12:50 pm
- Changing decorr length in vmc for varmin_linjas and emin?!
-
- Optimization problem of the AE CUTOFFS
by Braulio_Brito » Tue Sep 12, 2017 2:09 pm
- 7 Replies
- 2383 Views
- Last post by Braulio_Brito
Wed Sep 13, 2017 5:12 pm
- Optimization problem of the AE CUTOFFS
-
- Is CASINO QMC realy linear scaling?
by Vladimir_Konjkov » Mon Sep 04, 2017 12:13 pm - 1 Replies
- 1176 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
- 12835 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
- 1388 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
- 3091 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
- 2576 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
- 1280 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
- 1700 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
- 1213 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
- 2055 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
- 1333 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
- 1488 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
- 1964 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
- 3056 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
- 3366 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
- 1927 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
- 2206 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
- 1302 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
- 1304 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
- 2513 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
- 1390 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
- 2547 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
- 1465 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
- 1297 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
- 1821 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
- 1110 Views
- Last post by Mike Towler
Wed Oct 26, 2016 9:18 am
- Errors in Dos format
-
- The eror from the trial wave function from Quantum espresso
by Nguyen_Oanh » Tue Oct 18, 2016 6:27 am - 7 Replies
- 1764 Views
- Last post by Nguyen_Oanh
Tue Oct 18, 2016 10:46 am
- The eror from the trial wave function from Quantum espresso
-
- How to draw band gap of sillicon from resulst
1, 2by Nguyen_Oanh » Tue Sep 13, 2016 1:05 am - 10 Replies
- 3234 Views
- Last post by Nguyen_Oanh
Fri Sep 23, 2016 4:37 am
- How to draw band gap of sillicon from resulst
-
- Peak at block length v.s. on-the-fly method
by Tomohiro Ichibha » Sat Aug 27, 2016 1:15 pm - 5 Replies
- 2287 Views
- Last post by Katharina Doblhoff
Tue Aug 30, 2016 2:03 pm
- Peak at block length v.s. on-the-fly method
-
- Simulation cell and primitive cell
by Jhalak » Tue Jun 18, 2013 2:02 pm - 5 Replies
- 4950 Views
- Last post by Sharma_Omprakash
Wed Aug 10, 2016 10:22 am
- Simulation cell and primitive cell
-
- Twist averaging and wfn conversion in CRYSTAL09
by Kayahan » Fri Jul 29, 2016 5:35 pm
- 5 Replies
- 1840 Views
- Last post by Mike Towler
Mon Aug 01, 2016 9:03 pm
- Twist averaging and wfn conversion in CRYSTAL09
-
- CASINO installation problem
by Victor_Pina » Mon Jul 18, 2016 8:23 pm - 1 Replies
- 1426 Views
- Last post by Shiv Upadhyay
Tue Jul 19, 2016 12:23 am
- CASINO installation problem
-
- varmin, varmin-linjas
by Katharina Doblhoff » Mon Jul 04, 2016 7:51 am - 8 Replies
- 3165 Views
- Last post by Katharina Doblhoff
Mon Jul 04, 2016 2:46 pm
- varmin, varmin-linjas
144 topics • Page 1 of 3
• 1, 2, 3
Who is online
Users browsing this forum: Bing [Bot] and 4 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