Searched refs:coordinates0 (Results 1 – 3 of 3) sorted by relevance
/dports/science/py-molmod/molmod-1.4.8/molmod/test/ |
H A D | test_binning.py | 125 def verify_distances_inter(self, coordinates0, coordinates1, cutoff, distances, unit_cell=None): argument 127 for index0, coord0 in enumerate(coordinates0): 192 coordinates0 = np.random.uniform(0,5,(20,3)) 198 in PairSearchInter(coordinates0, coordinates1, cutoff) 200 self.verify_distances_inter(coordinates0, coordinates1, cutoff, distances) 208 coordinates0 = unit_cell.to_cartesian(fractional0)*3-unit_cell.matrix.sum(axis=1) 212 pair_search = PairSearchInter(coordinates0, coordinates1, cutoff, unit_cell) 220 self.verify_distances_inter(coordinates0, coordinates1, cutoff, distances, unit_cell)
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H A D | test_zmatrix.py | 50 numbers0, coordinates0 = zmat_to_cart(zmat0) 51 mol0 = Molecule(numbers0, coordinates0) 65 self.assertArraysAlmostEqual(coordinates0, coordinates1, 1e-5)
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/dports/science/py-molmod/molmod-1.4.8/molmod/ |
H A D | binning.py | 227 def __init__(self, coordinates0, coordinates1, cutoff, unit_cell=None, grid=None): argument 257 self.bins0 = Binning(coordinates0, cutoff, grid_cell, integer_cell)
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