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  1. 17:03, 28 August 2008 ‎Jobs in Materials Computation and Computational Physics (hist) ‎[9,389 bytes] ‎Jnkim (Talk | contribs) (New page: {{job-announce|wmc.foulkes@imperial.ac.uk}})
  2. 01:54, 31 July 2008 ‎HDF5 vs ETSF specifications (hist) ‎[1,616 bytes] ‎Jnkim (Talk | contribs) (New page: {{group_0|supercell}} {{dataset|lattice|double|(3,3)}} ** lattice <font color="blue">(double[3,3])</font> ** pbc <font color="blue">(int[3])</font> * ions ** num_ions <font color="blue">(...)
  3. 01:30, 31 July 2008 ‎Why HDF? (hist) ‎[376 bytes] ‎Jnkim (Talk | contribs) (New page: == Community programs using HDF == * [http://hdfeos.org/index.php HDF-EOF Tools], NASA's Earth Observing System)
  4. 21:43, 29 July 2008 ‎HDF5 format for wave function data (hist) ‎[7,705 bytes] ‎Esler (Talk | contribs) (New page: == HDF5 storage format == * ions ** lattice ** num_ions ** ion_types * electrons ** num_kpoints ** num_spins ** num_electrons ** kpoint_0 *** k *** weight *** num_Gvecs *** Gvecs *** spin...)
  5. 20:27, 8 May 2008 ‎JustFoolingAround/ChildPage-1 (hist) ‎[142 bytes] ‎Krakauer (Talk | contribs) (New page: This is a test: This is created as a "child" of FoolingAround. Link title[ == http://www.example.com link title == Media:Example.ogg])
  6. 21:04, 26 February 2008 ‎Link to Trieste Winter School Labs (hist) ‎[507 bytes] ‎Bkclark (Talk | contribs) (New page: # [http://cms.mcc.uiuc.edu/pimcpp/index.php/5-minute_introduction_to_Python 5 minute intro to Python] # [http://cms.mcc.uiuc.edu/pimcpp/index.php/Python_statistical_analysis Statistical ...)
  7. 20:23, 18 January 2008 ‎5-minute introduction to Python (hist) ‎[7,843 bytes] ‎Esler (Talk | contribs) (New page: ==Background== Python is a relatively new programming language designed to be simple, yet powerful. As an interpreted language, it allows one to rapidly test out ideas and build sophist...)
  8. 18:53, 18 January 2008 ‎VMC optimization (hist) ‎[5,672 bytes] ‎Esler (Talk | contribs) (New page: THIS IS NOT CORRECT/COMPLETE YET. DON'T TRY YET We are interested in minimizing the function <amsmath> f(\alpha) = \int E(r;\alpha) \Psi^2(r;\alpha,\text{bondLength}) dr </amsmath> where...)
  9. 18:53, 18 January 2008 ‎TestOptimizeJastrow.py (hist) ‎[890 bytes] ‎Esler (Talk | contribs) (New page: <code>[python,N] from VMCHelp import * import numpy import random from VMC_template import * import stats CalcStatistics=stats #set up wave function as always print "Setting up wave funct...)
  10. 18:52, 18 January 2008 ‎WFJastrow.py (hist) ‎[573 bytes] ‎Esler (Talk | contribs) (New page: <code>[python,N] from VMCHelp import * import numpy import random from VMC_template import * import pylab import CalcStatistics H2=H2JastrowClass() H2.SetParams([0.5,0.3]) H2.SetIons(SetB...)
  11. 18:51, 18 January 2008 ‎Speeding up python code (hist) ‎[1,981 bytes] ‎Esler (Talk | contribs) (New page: Python is very expressive (you can do a lot in few lines of code) and very pedagogical (by design). On the flip side, it can also be very slow. For some things, this is not a problem, al...)
  12. 18:50, 18 January 2008 ‎TestBondLength.py (hist) ‎[481 bytes] ‎Esler (Talk | contribs) (New page: <code>[python,N] from VMCHelp import * import numpy import random from VMC_template import * import stats CalcStatistics=stats #set up wave function as always H2=H2Class() H2.SetParams([...)
  13. 18:49, 18 January 2008 ‎OptimizeTest.py (hist) ‎[474 bytes] ‎Esler (Talk | contribs) (New page: <code>[python,N] from VMCHelp import * import numpy import random from VMC_template import * import stats CalcStatistics=stats #set up wave function as always H2=H2Class() H2.SetParams([...)
  14. 18:47, 18 January 2008 ‎VMC Hydrogen Optimizing (hist) ‎[9,570 bytes] ‎Esler (Talk | contribs) (New page: Return to: VMC Tutorial == Optimizing the wavefunction: A First Attempt == Test File: OptimizeTest.py Now that we can evaluate the energy, we should use this information to allo...)
  15. 18:46, 18 January 2008 ‎EnergyTest.py (hist) ‎[659 bytes] ‎Esler (Talk | contribs) (New page: <code>[python,N] from VMCHelp import * import numpy import random from VMC_template import * import stats CalcStatistics=stats H2=H2Class() H2.SetParams([0.5]) H2.SetIons(SetBondLength(1...)
  16. 18:44, 18 January 2008 ‎DensityTest.py (hist) ‎[256 bytes] ‎Esler (Talk | contribs) (New page: <code>[python,N] from VMCHelp import * import numpy import random from VMC_template import * #first set up our class H2=H2Class() H2.SetParams([0.5]) H2.SetIons(SetBondLength(1.4)) #then...)
  17. 18:43, 18 January 2008 ‎VMCTest.py (hist) ‎[254 bytes] ‎Esler (Talk | contribs) (New page: <code>[python,N] from VMCHelp import * import numpy import random from VMC_template import * #first set up our class H2=H2Class() H2.SetParams([0.5]) H2.SetIons(SetBondLength(1.4)) #then...)
  18. 18:42, 18 January 2008 ‎PythonWaveFunctionGaussianIons (hist) ‎[441 bytes] ‎Esler (Talk | contribs) (New page: <code>[python,N] def WaveFunction(self,coords): #we could make this more general by using loops but since we call it a lot and #python does bounds checking it would be slow down the code ...)
  19. 18:41, 18 January 2008 ‎WFTest.py (hist) ‎[352 bytes] ‎Esler (Talk | contribs) (New page: <code>[python,N] from VMCHelp import * import numpy import random from VMC_template import * H2=H2Class() H2.SetParams([0.5]) H2.SetIons(SetBondLength(1.4)) coords=numpy.zeros((2,3),float...)
  20. 18:40, 18 January 2008 ‎VMC template.py (hist) ‎[1,932 bytes] ‎Esler (Talk | contribs) (New page: <pre> from VMCHelp import * import numpy import random import CalcStatistics class H2Class: def SetParams(self,params): self.params=copy(params) def SetIons(self,ions): sel...)
  21. 18:40, 18 January 2008 ‎VMCHelp.py (hist) ‎[2,894 bytes] ‎Esler (Talk | contribs) (New page: <pre> from numpy import * import random import numpy import pylab from math import * def dist(x,y): return sqrt(numpy.dot(x-y,x-y)) class Histogram: min=0.0 max=5.0 ...)
  22. 18:38, 18 January 2008 ‎VMC Object Diagram (hist) ‎[2,219 bytes] ‎Esler (Talk | contribs) (New page: This is primarily for experts. Don't worry if this doesn't make sense to you. The "integration" of the many body wave-function by VMC is typically embedded in a larger structure that invo...)
  23. 18:35, 18 January 2008 ‎Writing a simple VMC code in Python (hist) ‎[15,274 bytes] ‎Esler (Talk | contribs) (New page: In this tutorial, we will write a variational monte carlo code that calculates properties of the Hydrogen atom. Before we delve into the production of our variational monte carlo code, le...)
  24. 17:54, 18 January 2008 ‎Python lab on statistical analysis (hist) ‎[12,311 bytes] ‎Esler (Talk | contribs) (New page: == Getting Started == In order to use the software for the lab, several environment variables need to be set up. This can be done by typing <font color="blue"><pre> source /afs/ictp/publi...)
  25. 17:08, 8 October 2007 ‎Archive of presentations (hist) ‎[35,344 bytes] ‎Amyoung (Talk | contribs) (New page: Presentation List * Computing derivatives and small differences of diffusion Monte Carlo energies by Roland Assaraf, Alexander Kollias and Michel Caffarel * Finite-size correction in many-...)
  26. 21:39, 3 October 2007 ‎CECAM QMC 2007 (hist) ‎[26 bytes] ‎Jnkim (Talk | contribs) (New page: == Presentation Archive == * [Ceperley_CECAM07.pdf David M Ceperley‎])
  27. 16:17, 30 August 2007 ‎Forces in QMC (hist) ‎[2,591 bytes] ‎Wparker (Talk | contribs) (created page from notes)
  28. 14:14, 30 August 2007 ‎Finite-size errors in QMC (hist) ‎[2,247 bytes] ‎Jnkim (Talk | contribs) (New page: Discussion during CECAM QMC Workshop 2007 == Introduction == * Without twist averaging, what is the best way to get finite k-pt correction from DFT or HF? * Pros and cons of MPC vs S(k) * ...)
  29. 22:19, 17 July 2007 ‎Comparison of QMC codes (hist) ‎[2,018 bytes] ‎Wparker (Talk | contribs) (Created page)
  30. 21:11, 10 July 2007 ‎KevinDriver (hist) ‎[12 bytes] ‎Qmcss07 (Talk | contribs) (New page: My Qmc page.)
  31. 12:44, 10 July 2007 ‎QMCSS07 (hist) ‎[2,114 bytes] ‎Jnkim (Talk | contribs) (New page: Workspace for the participants)
  32. 17:22, 20 February 2007 ‎Quantum Monte Carlo e-mail list (hist) ‎[226 bytes] ‎Aspuru (Talk | contribs) (New page: == Quantum Monte Carlo e-mail list == A general quantum Monte Carlo e-mail list for meeting announcements / discussions and anything QMC-related. The list is low volume. http://lists.fas...)
  33. 22:27, 29 January 2007 ‎How to add a new user (hist) ‎[448 bytes] ‎Jnkim (Talk | contribs) (New page: Only the users in Bureaucrat and Sysop group can create a new account. Once you logon, follow these steps * [Special:Userlogin| Go to userlogin] * Click on "Create Account" * Fill in the...)
  34. 17:21, 1 September 2006 ‎Periodic Solids (hist) ‎[3,573 bytes] ‎Wparker (Talk | contribs)
  35. 17:19, 1 September 2006 ‎Molecules (hist) ‎[4,759 bytes] ‎Wparker (Talk | contribs)
  36. 17:10, 1 September 2006 ‎Atoms (hist) ‎[4,260 bytes] ‎Wparker (Talk | contribs)
  37. 04:09, 30 August 2006 ‎InputExample (hist) ‎[3,652 bytes] ‎Bkclark (Talk | contribs)
  38. 03:38, 30 August 2006 ‎StandardizationCriterion (hist) ‎[4,652 bytes] ‎Bkclark (Talk | contribs)

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