kmaasrud/vmc

Issues

• Go through comments from last project.

  #25 opened 3 years ago by annasro
  0

• Last check:

  #32 opened 3 years ago by annasro
  0

• Delete unecessary and faulty tests, and make sure the ones kept are passing

  #34 opened 3 years ago by kmaasrud
  0

• blocking

  #36 opened 3 years ago by annasro
  0

• Results

  #37 opened 3 years ago by annasro
  0

• One body densities from optimal ground state energy parameters (h) for N = 2, 6 and 12

  #28 opened 3 years ago by annasro
  0

• Avarage mean distance between electrons for N = 2

  #29 opened 3 years ago by annasro
  0

• Performance analysis

  #26 opened 3 years ago by annasro
  0

• Perform a Variational Monte Carlo calculation of the ground state (f)

  #10 opened 3 years ago by annasro
  0

• Calculate the kinetic energies with the virial theorem

  #31 opened 3 years ago by annasro
  0

• Write wafeunctions for fermions in wavefunctions.rs

  #5 opened 3 years ago by amundmr
  0

• Expectation value of the energy

  #14 opened 3 years ago by annasro
  0

• Revised gradients

  #33 opened 3 years ago by kmaasrud
  0

• Finished

  #35 opened 3 years ago by annasro
  0

• Write test for MonteCarlo

  #6 opened 3 years ago by amundmr
  1

• Write tests for wavefunctions

  #4 opened 3 years ago by amundmr
  1

• Make som nice algo for a (spinn parameter) in trial wavefunction

  #9 opened 3 years ago by annasro
  0

• Find the most effective parallelization method

  #16 opened 3 years ago by kmaasrud
  2

• Find analytic expression for local energy (b)

  #8 opened 3 years ago by annasro
  1

• Blocking(optimal std deviation) of importance sampling analytic + numerical without Jastrow (d)

  #30 opened 3 years ago by annasro
  0

• Proper motivation and walkthrough of the trial wave functions and it's optimizations

  #19 opened 3 years ago by kmaasrud
  0

• add hermitian polynomials to appendix + its derivatives

  #27 opened 3 years ago by annasro
  0

• Write optimized Slater ratio implementation

  #23 opened 3 years ago by kmaasrud
  0

• Hermite polynomials implementation

  #17 opened 3 years ago by kmaasrud
  0

• Write Laplacians

  #24 opened 3 years ago by kmaasrud
  0

• Proper error-handling in our existing functions

  #18 opened 3 years ago by kmaasrud
  0

• Further optimize `Particle`

  #21 opened 3 years ago by kmaasrud
  0

• Quantum force

  #22 opened 3 years ago by annasro
  4

• Write tests for BruteForceMetropolis functions

  #3 opened 3 years ago by amundmr
  0

• Write test for all ImportanceMetropolis functions

  #2 opened 3 years ago by amundmr
  0

• Outline the gist of VMC method, ref. Project 1

  #20 opened 3 years ago by kmaasrud
  0

• Theory a)

  #7 opened 3 years ago by annasro
  0

• Write tests for `Particle`

  #15 opened 3 years ago by kmaasrud
  0

• Investigate testing and make a framework (if necessary)

  #1 opened 3 years ago by kmaasrud
  0

• Trial wavefunction b)

  #11 opened 3 years ago by annasro
  0

• Theory for testing

  #13 opened 3 years ago by amundmr
  1

• Interacting term Hamiltonian

  #12 opened 3 years ago by annasro
  1