TREX/qmc-lttc
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Anthony Scemama 2021-02-04 19:11:30 +01:00
parent 5baa6aaf74
commit 38197cb0dd
1 changed files with 16 additions and 15 deletions
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@ -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