From 38197cb0ddce669280600a8c57a24205577d549a Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 4 Feb 2021 19:11:30 +0100 Subject: [PATCH] All solutions shown --- QMC.org | 31 ++++++++++++++++--------------- 1 file changed, 16 insertions(+), 15 deletions(-) diff --git a/QMC.org b/QMC.org index 097b81d..22ff02a 100644 --- a/QMC.org +++ b/QMC.org @@ -10,7 +10,8 @@ #+OPTIONS: H:4 num:t toc:t \n:nil @:t ::t |:t ^:t -:t f:t *:t <:t #+OPTIONS: TeX:t LaTeX:t skip:nil d:nil todo:t pri:nil tags:not-in-toc # EXCLUDE_TAGS: solution solution2 noexport -#+EXCLUDE_TAGS: solution noexport +# EXCLUDE_TAGS: solution noexport +#+EXCLUDE_TAGS: noexport #+BEGIN_SRC elisp :output none :exports none (setq org-latex-listings 'minted @@ -183,7 +184,7 @@ double precision function potential(r) end function potential #+END_SRC -**** Solution :solution2: +**** Solution :solution: *Python* #+BEGIN_SRC python :results none #!/usr/bin/env python3 @@ -238,7 +239,7 @@ double precision function psi(a, r) end function psi #+END_SRC -**** Solution :solution2: +**** Solution :solution: *Python* #+BEGIN_SRC python :results none def psi(a, r): @@ -309,7 +310,7 @@ double precision function kinetic(a,r) end function kinetic #+END_SRC -**** Solution :solution2: +**** Solution :solution: *Python* #+BEGIN_SRC python :results none def kinetic(a,r): @@ -383,7 +384,7 @@ double precision function e_loc(a,r) end function e_loc #+END_SRC -**** Solution :solution2: +**** Solution :solution: *Python* #+BEGIN_SRC python :results none def e_loc(a,r): @@ -410,7 +411,7 @@ end function e_loc Find the theoretical value of $a$ for which $\Psi$ is an eigenfunction of $\hat{H}$. #+end_exercise -**** Solution :solution2: +**** Solution :solution: \begin{eqnarray*} E &=& \frac{\hat{H} \Psi}{\Psi} = - \frac{1}{2} \frac{\Delta \Psi}{\Psi} - @@ -523,7 +524,7 @@ plot './data' index 0 using 1:2 with lines title 'a=0.1', \ './data' index 5 using 1:2 with lines title 'a=2.0' #+end_src -**** Solution :solution2: +**** Solution :solution: *Python* #+BEGIN_SRC python :results none #!/usr/bin/env python3 @@ -681,7 +682,7 @@ gfortran hydrogen.f90 energy_hydrogen.f90 -o energy_hydrogen ./energy_hydrogen #+end_src -**** Solution :solution2: +**** Solution :solution: *Python* #+BEGIN_SRC python :results none :exports both #!/usr/bin/env python3 @@ -816,7 +817,7 @@ gfortran hydrogen.f90 energy_hydrogen.f90 -o energy_hydrogen $$\langle \left( E - \langle E \rangle_{\Psi^2} \right)^2\rangle_{\Psi^2} = \langle E^2 \rangle_{\Psi^2} - \langle E \rangle_{\Psi^2}^2 $$ #+end_exercise -**** DONE Solution :solution2: +**** Solution :solution: $\bar{E} = \langle E \rangle$ is a constant, so $\langle \bar{E} \rangle = \bar{E}$ . @@ -892,7 +893,7 @@ gfortran hydrogen.f90 variance_hydrogen.f90 -o variance_hydrogen ./variance_hydrogen #+end_src -**** Solution :solution2: +**** Solution :solution: *Python* #+BEGIN_SRC python :results none :exports both #!/usr/bin/env python3 @@ -1089,7 +1090,7 @@ subroutine ave_error(x,n,ave,err) end subroutine ave_error #+END_SRC -**** Solution :solution2: +**** Solution :solution: *Python* #+BEGIN_SRC python :results none :exports code #!/usr/bin/env python3 @@ -1265,7 +1266,7 @@ gfortran hydrogen.f90 qmc_stats.f90 qmc_uniform.f90 -o qmc_uniform ./qmc_uniform #+end_src -**** Solution :solution2: +**** Solution :solution: *Python* #+BEGIN_SRC python :results output :exports both #!/usr/bin/env python3 @@ -1561,7 +1562,7 @@ gfortran hydrogen.f90 qmc_stats.f90 qmc_metropolis.f90 -o qmc_metropolis ./qmc_metropolis #+end_src -**** Solution :solution2: +**** Solution :solution: *Python* #+BEGIN_SRC python :results output :exports both #!/usr/bin/env python3 @@ -1867,7 +1868,7 @@ subroutine drift(a,r,b) end subroutine drift #+END_SRC -**** Solution :solution2: +**** Solution :solution: *Python* #+BEGIN_SRC python :tangle hydrogen.py def drift(a,r): @@ -1975,7 +1976,7 @@ gfortran hydrogen.f90 qmc_stats.f90 vmc_metropolis.f90 -o vmc_metropolis ./vmc_metropolis #+end_src -**** Solution :solution2: +**** Solution :solution: *Python* #+BEGIN_SRC python :results output :exports both #!/usr/bin/env python3