 15 May, 2019 2 commits


Inge van der Knijff authored
Added some comments on the input notebook, minor change in generating the initial positiion in metropolis, and resloved a bug in minimization.py.

Inge van der Knijff authored

 13 May, 2019 2 commits


Inge van der Knijff authored
Moved large part of the code in the notebook to execution.py. The notebook now serves as an interface for the input of parameters.

Inge van der Knijff authored
Moved x0 and r0 to metropolis function, created print_result function which writes the results to a file.

 11 May, 2019 1 commit


Inge van der Knijff authored

 10 May, 2019 1 commit


Inge van der Knijff authored

 08 May, 2019 3 commits


Rens Stigter authored

Rens Stigter authored
add multiple random walkers to metropolis function. rewrite functions a bit, energy calculation taken out of the metropolis function

Rens Stigter authored
updated the code for a simpler case (Hatom), change the integral for E into one for a 3D system. This gave much better results

 01 May, 2019 1 commit


Rens Stigter authored
clean up the more complex functions by moving tasks to the more basic functions(like trial_function.py). Write an algorithm for the minimization procedure to find the value of alpha where the energy is minimal

 29 Apr, 2019 1 commit


Inge van der Knijff authored

 26 Apr, 2019 1 commit


Rens Stigter authored
Solve bug in metropolis, weight function was applied too often. Apply variable step h, as function of alpha

 24 Apr, 2019 4 commits


Inge van der Knijff authored
Changed the acceptance of a trial sample according to Sukanta Deb. There is still a bug in this function. It does not return the correct minimal value.

Inge van der Knijff authored
Rough MC sampling which calculates weights is now also used to perform the calculation. Metropolis argument is put into a function and is calculated for variable alpha.

Rens Stigter authored
created the notebook and wrote code to implement the MC method for the harmonic oscillator. Two additional functions were written to implement a trial wavefunction and a local energy

Rens Stigter authored
