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Two conventions for reciprocalBasis 

Former-commit-id: 698fca8df5631e704e4a33dd9871b780f542a130
This commit is contained in:
Marek Nečada 2017-08-03 08:07:50 +00:00
parent c638c47192
commit 0b09921bb5
1 changed files with 6 additions and 4 deletions
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10
qpms/lattices2d.py
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@ -213,18 +213,20 @@ def filledWS(b1, b2, density=10, scale=1.):
rot90_ = np.array([[0,1],[-1,0]]) rot90_ = np.array([[0,1],[-1,0]])
def reciprocalBasis(a1, a2): def reciprocalBasis1(a1, a2):
a1, a2 = reduceBasisSingle(a1,a2) # this can be replaced with the vector version of reduceBasis when it is made a1, a2 = reduceBasisSingle(a1,a2) # this can be replaced with the vector version of reduceBasis when it is made
prefac = 2*np.pi/np.sum(np.tensordot(a1, rot90_, axes=[-1,0]) * a2, axis=-1) prefac = np.sum(np.tensordot(a1, rot90_, axes=[-1,0]) * a2, axis=-1)
b1 = np.tensordot(rot90_, a2, axes=[-1,-1]) * prefac b1 = np.tensordot(rot90_, a2, axes=[-1,-1]) * prefac
b2 = np.tensordot(rot90_, a1, axes=[-1,-1]) * prefac b2 = np.tensordot(rot90_, a1, axes=[-1,-1]) * prefac
return (b1, b2) return np.array([b1, b2])
def reciprocalBasis2pi(*pargs):
return 2*np.pi*reciprocalBasis1(*pargs)
# TODO fill it with "points from reciprocal space" instead # TODO fill it with "points from reciprocal space" instead
def filledWS2(b1,b2, density=10, scale=1.): def filledWS2(b1,b2, density=10, scale=1.):
b1, b2 = reduceBasisSingle(b1,b2) b1, b2 = reduceBasisSingle(b1,b2)
b1r, b2r = reciprocalBasis(b1,b2) b1r, b2r = reciprocalBasis2pi(b1,b2)
b1l = np.linalg.norm(b1, ord=2) b1l = np.linalg.norm(b1, ord=2)
b2l = np.linalg.norm(b2, ord=2) b2l = np.linalg.norm(b2, ord=2)
b1rl = np.linalg.norm(b1r, ord=2) b1rl = np.linalg.norm(b1r, ord=2)