bandu 1.3.5__py3-none-any.whl → 1.3.7__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- bandu/abinit_reader.py +1094 -1094
- bandu/bandu.py +320 -313
- bandu/brillouin_zone.py +185 -185
- bandu/colors.py +46 -46
- bandu/isosurface_class.py +235 -235
- bandu/plotter.py +599 -599
- bandu/translate.py +37 -37
- bandu/wfk_class.py +557 -556
- bandu/xsf_reader.py +91 -90
- {bandu-1.3.5.dist-info → bandu-1.3.7.dist-info}/METADATA +192 -192
- bandu-1.3.7.dist-info/RECORD +14 -0
- {bandu-1.3.5.dist-info → bandu-1.3.7.dist-info}/WHEEL +1 -1
- {bandu-1.3.5.dist-info → bandu-1.3.7.dist-info}/licenses/LICENSE +21 -21
- bandu-1.3.5.dist-info/RECORD +0 -14
- {bandu-1.3.5.dist-info → bandu-1.3.7.dist-info}/top_level.txt +0 -0
bandu/translate.py
CHANGED
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@@ -1,38 +1,38 @@
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import numpy as np
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def TranslatePoints(
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points:np.ndarray, values:np.ndarray, lattice_vecs:np.ndarray
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)->tuple[np.ndarray, np.ndarray]:
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npts = len(points)
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# translate points along each lattice direction to ensure grid space is filled
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trans_points = np.zeros((27*npts,3))
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trans_values = np.zeros((27*npts,1))
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for i in range(3):
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even_ind = 9*i
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odd_ind = 9*i+1
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# translate points along z axis
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layer_pts = points + (i-1)*lattice_vecs[2,:]
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trans_points[even_ind*npts:(even_ind+1)*npts,:] = layer_pts
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# translate along +x and -x
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trans_points[odd_ind*npts:(odd_ind+1)*npts,:] = layer_pts + lattice_vecs[0,:]
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trans_points[(even_ind+2)*npts:(even_ind+3)*npts,:] = layer_pts - lattice_vecs[0,:]
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# along +y and -y
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trans_points[(odd_ind+2)*npts:(odd_ind+3)*npts,:] = layer_pts + lattice_vecs[1,:]
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trans_points[(even_ind+4)*npts:(even_ind+5)*npts,:] = layer_pts - lattice_vecs[1,:]
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# along +x+y and +x-y
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trans_points[(odd_ind+4)*npts:(odd_ind+5)*npts,:] = layer_pts + lattice_vecs[0,:] + lattice_vecs[1,:]
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trans_points[(even_ind+6)*npts:(even_ind+7)*npts,:] = layer_pts - lattice_vecs[0,:] + lattice_vecs[1,:]
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# along -x+y and -x-y
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trans_points[(odd_ind+6)*npts:(odd_ind+7)*npts,:] = layer_pts + lattice_vecs[0,:] - lattice_vecs[1,:]
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trans_points[(even_ind+8)*npts:(even_ind+9)*npts,:] = layer_pts - lattice_vecs[0,:] - lattice_vecs[1,:]
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# repeat translations for values array
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trans_values[even_ind*npts:(even_ind+1)*npts,:] = values
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trans_values[odd_ind*npts:(odd_ind+1)*npts,:] = values
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trans_values[(even_ind+2)*npts:(even_ind+3)*npts,:] = values
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trans_values[(odd_ind+2)*npts:(odd_ind+3)*npts,:] = values
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trans_values[(even_ind+4)*npts:(even_ind+5)*npts,:] = values
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trans_values[(odd_ind+4)*npts:(odd_ind+5)*npts,:] = values
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trans_values[(even_ind+6)*npts:(even_ind+7)*npts,:] = values
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trans_values[(odd_ind+6)*npts:(odd_ind+7)*npts,:] = values
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trans_values[(even_ind+8)*npts:(even_ind+9)*npts,:] = values
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+
import numpy as np
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def TranslatePoints(
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points:np.ndarray, values:np.ndarray, lattice_vecs:np.ndarray
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)->tuple[np.ndarray, np.ndarray]:
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npts = len(points)
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# translate points along each lattice direction to ensure grid space is filled
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trans_points = np.zeros((27*npts,3))
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trans_values = np.zeros((27*npts,1))
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+
for i in range(3):
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even_ind = 9*i
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12
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odd_ind = 9*i+1
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# translate points along z axis
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layer_pts = points + (i-1)*lattice_vecs[2,:]
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trans_points[even_ind*npts:(even_ind+1)*npts,:] = layer_pts
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# translate along +x and -x
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trans_points[odd_ind*npts:(odd_ind+1)*npts,:] = layer_pts + lattice_vecs[0,:]
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trans_points[(even_ind+2)*npts:(even_ind+3)*npts,:] = layer_pts - lattice_vecs[0,:]
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# along +y and -y
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trans_points[(odd_ind+2)*npts:(odd_ind+3)*npts,:] = layer_pts + lattice_vecs[1,:]
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trans_points[(even_ind+4)*npts:(even_ind+5)*npts,:] = layer_pts - lattice_vecs[1,:]
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# along +x+y and +x-y
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trans_points[(odd_ind+4)*npts:(odd_ind+5)*npts,:] = layer_pts + lattice_vecs[0,:] + lattice_vecs[1,:]
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trans_points[(even_ind+6)*npts:(even_ind+7)*npts,:] = layer_pts - lattice_vecs[0,:] + lattice_vecs[1,:]
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# along -x+y and -x-y
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trans_points[(odd_ind+6)*npts:(odd_ind+7)*npts,:] = layer_pts + lattice_vecs[0,:] - lattice_vecs[1,:]
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trans_points[(even_ind+8)*npts:(even_ind+9)*npts,:] = layer_pts - lattice_vecs[0,:] - lattice_vecs[1,:]
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# repeat translations for values array
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trans_values[even_ind*npts:(even_ind+1)*npts,:] = values
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trans_values[odd_ind*npts:(odd_ind+1)*npts,:] = values
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trans_values[(even_ind+2)*npts:(even_ind+3)*npts,:] = values
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trans_values[(odd_ind+2)*npts:(odd_ind+3)*npts,:] = values
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trans_values[(even_ind+4)*npts:(even_ind+5)*npts,:] = values
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trans_values[(odd_ind+4)*npts:(odd_ind+5)*npts,:] = values
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trans_values[(even_ind+6)*npts:(even_ind+7)*npts,:] = values
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trans_values[(odd_ind+6)*npts:(odd_ind+7)*npts,:] = values
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trans_values[(even_ind+8)*npts:(even_ind+9)*npts,:] = values
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return trans_points, trans_values
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