removed non-covered and unused files and more gitignore

examples/.gitignore

+__pycache__
+*.pyc
+*.py~
+.*.sw?
+*.traj
+*.pkl

rotagaporp/.gitignore

 __pycache__
+*.pyc
+*.py~
+.*.sw?

rotagaporp/anharmonic.py

-import numpy as np
-
-delta = 1.0
-
-def lnqp(q, p, length):
-    """ apply the Liouville operator to (q, p), i.e. (iL)^n q and (iL)^n p """
-
-    lnq = np.zeros(length, dtype=complex)
-    lnp = np.zeros(length, dtype=complex)
-    A = np.zeros(length, dtype=complex)
-    B = np.zeros(length, dtype=complex)    
-    A[1] = 2.*(q**3 - q)
-    A[2] = 2.*(3*q**2 - 1)
-    A[3] = 12.*q
-    A[4] = 12.
-    B[1] = p
-    B[2] = 1
-
-    lnq[0] = q
-    lnp[0] = p
-    lnq[1] =  B[1]
-    lnp[1] = -A[1]
-    lnq[2] = -A[1]*B[2]
-    lnp[2] = -B[1]*A[2]
-    lnq[3] =  A[1]**2*B[3] - A[2]*B[1]*B[2]
-    lnp[3] = -B[1]**2*A[3] + B[2]*A[1]*A[2]
-    lnq[4] = (3*A[1]*A[2]*B[1]*B[3] - A[3]*B[1]**2*B[2] 
-              - A[1]**3*B[4] + A[1]*A[2]*B[2]**2)
-    lnp[4] = (3*B[1]*B[2]*A[1]*A[3] - B[3]*A[1]**2*A[2] 
-              - B[1]**3*A[4] + B[1]*B[2]*A[2]**2)
-    lnq[5] = ((3*B[1]**2*B[3] + B[1]*B[2]**2)*(A[2]**2 + A[1]*A[3])
-              - A[4]*B[1]**3*B[2] - 3*A[1]**2*A[2]*B[1]*B[4]
-              - 5*A[1]**2*A[2]*B[2]*B[3] - 3*A[1]**2*A[2]*B[1]*B[4]
-              + A[1]*A[3]*(2*B[1]*B[2]**2 + B[1]**2*B[3]) + A[1]**4*B[5])
-    lnp[5] = (-(3*A[1]**2*A[3] + A[1]*A[2]**2)*(B[2]**2 + B[1]*B[3])
-              + B[4]*A[1]**3*A[2] + 3*B[1]**2*B[2]*A[1]*A[4]
-              + 5*B[1]**2*B[2]*A[2]*A[3] + 3*B[1]**2*B[2]*A[1]*A[4]
-              - B[1]*B[3]*(2*A[1]*A[2]**2 + A[1]**2*A[3]) - B[1]**4*A[5])
-    return (lnq, lnp)
-
-
-def force(q):
-    return -2.*(q**3 - q)
-
-def energy(q, p):
-    return 0.5*p*p + 0.5*q*q*q*q - q*q
-
-def solution(q0, p0, time):
-    pass

rotagaporp/ballistic.py

-import numpy as np
-
-# from the characterisic equation lambda^2 = 0, lambda = 0
-
-cf = 1.0 # constant force
-delta = 1.0 
-
-def lnqp(q, p, length):
-    """ apply the Liouville operator to (q, p), i.e. (iL)^n q and (iL)^n p """
-
-    lnq = np.zeros(length, dtype=complex)
-    lnp = np.zeros(length, dtype=complex)
-    lnq[0] = q
-    lnp[0] = p
-    lnq[1] = p
-    lnp[1] = -cf
-    lnq[2] = -cf
-    lnp[2] = cf*cf
-    return (lnq, lnp)
-
-def force(q):
-    return -cf
-
-def energy(q, p):
-    return 0.5*p*p + cf*q
-
-def solution(q0, p0, time):
-    q_ref = -0.5*cf*time*time + p0*time + q0
-    p_ref = - cf*time + p0
-    return (q_ref, p_ref)

rotagaporp/harmonic.py

-import numpy as np
-from scipy.special import binom
-
-delta = 1.0
-omega = 1.0
-lambda_min = -delta/2.0
-
-def lnqp(q, p, length):
-    """ apply the Liouville operator to (q, p), i.e. (iL)^n q and (iL)^n p """
-
-    sqq = [1, 0, -1, 0]
-    sqp = [0, 1, 0, -1]
-    spq = [0, -1, 0, 1]
-    spp = [1, 0, -1, 0]
-    lnq = np.zeros(length, dtype=complex)
-    lnp = np.zeros(length, dtype=complex)
-    for k in range(length):
-        cyc = k % 4
-        lnq[k] = q * sqq[cyc] + p * sqp[cyc]
-        lnp[k] = q * spq[cyc] + p * spp[cyc]
-    # scaling the powers of the Liouville operator
-    a = 1./delta
-    if np.isclose(a, 1.0, atol=1e-08):
-        return (lnq, lnp)
-    else:
-        lnqsc = np.zeros(length, dtype=complex)
-        lnpsc = np.zeros(length, dtype=complex)
-        b = -a*(lambda_min + delta/2.0)
-        if np.isclose(b, 0.0, atol=1e-08):
-            for n in range(length):
-                lnqsc[n] = lnq[n] * a**n
-                lnpsc[n] = lnp[n] * a**n
-        else:
-            for n in range(length):
-                for k in range(n+1):
-                    bnk = binom(n, k)
-                    lnqsc[n] = lnqsc[n] + bnk * a**k * b**(n-k) * lnq[k]
-                    lnpsc[n] = lnpsc[n] + bnk * a**k * b**(n-k) * lnp[k]
-        return (lnqsc, lnpsc)
-
-def force(q):
-    return -q
-
-def energy(q, p):
-    return 0.5*(p*p + q*q)
-
-def solution(q0, p0, time):
-    q_ref = q0*np.exp(1.0j*omega*time)
-    p_ref = q0*(1.0j*omega)*np.exp(1.0j*omega*time)
-    return (q_ref, p_ref)

tests/.gitignore

 __pycache__
+*.pyc
+*.py~
+.*.sw?

utilities/.gitignore

 __pycache__
+*.pyc
+*.py~
+.*.sw?