Equations are here (4):
http://certik.github.com/theoretical-physics/book/src/elmag/elmag.html#equations
from StringIO import StringIO | |
from sympy import * | |
from sympy import pprint | |
cfile = StringIO() | |
cfile.write(""" | |
inline void mohrCoulomb(const double& phi, const double& psi, const | |
double& c, const double stress[nSymTen], //inputs | |
double& f, double df[nSymTen], double |
xxyx |
from math import sqrt, log | |
from numpy import exp, arange | |
from qsnake.mesh import get_mesh_exp_params, mesh_exp | |
def mesh_nist1_direct(r_min, r_max, N): | |
r_min = float(r_min) | |
r_max = float(r_max) | |
n = arange(N+1) | |
a = r_max / r_min |
program Hydrogen | |
use rdirac | |
use fmesh | |
implicit none | |
! Atomic number: | |
integer, parameter :: Z = 92 | |
! Mesh parameters: | |
real(dp), parameter :: r_min = 1e-8_dp, r_max = 50.0_dp, a = 1e6_dp | |
integer, parameter :: NN = 3000 |
from numpy import loadtxt, log, abs, sign, exp | |
from scipy import polyfit | |
from pylab import plot, show | |
a = loadtxt("a.txt") | |
E = a[:, 0] | |
rt = a[:, 2] | |
E_f = E[-1] | |
E = E[:-1] | |
rt = rt[:-1] |
ondrej@crow:~/repos/dftatom(master)$ tests/uranium/uranium_nonrel | |
Hydrogen like nonrelativistic energies for Z=92 (U) | |
Mesh parameters (r_min, r_max, a, N): | |
1.00E-08 50.00 1.00E+06 3000 | |
n l E E_exact Error | |
9 -0.74986248515115494 | |
10 -1.38325477745979727E-004 | |
11 -8.74251184857079945E-012 |
V[r] = -1/r; | |
Manipulate[ | |
r0 = 10^r0exp; | |
If[usen, | |
En = -1/(2*n^2); | |
]; | |
Plot[ | |
Evaluate[ | |
P[r] /. NDSolve[ | |
{ |
Equations are here (4):
http://certik.github.com/theoretical-physics/book/src/elmag/elmag.html#equations
all: | |
gfortran -Wextra -Wall -o w.o -c w.f90 |
This code: | |
from IPython.core.ipapi import get as get_ipython | |
ip = get_ipython() | |
ip.config.InteractiveShell.confirm_exitip.config.InteractiveShell.confirm_exit = False | |
IPython.frontend.terminal.embed.InteractiveShellEmbed(user_ns=namespace, banner1=banner).mainloop() | |
produces: |