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17 lines
360 B
17 lines
360 B
2 years ago
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from scipy.constants import N_A
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def density(geom):
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a1 = 0
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a2 = 0
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a3 = 0
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with open(geom, 'r') as f:
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for line in f:
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if "CRYST1" in line:
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arr = line.split()
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a1 = float(arr[1])
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a2 = float(arr[2])
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a3 = float(arr[3])
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V = a1*a2*a3*10**-24 # Volume dalam cm^3
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dens = mass/V # Massa jenis dalam g/cm^3
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print("Density = {}".format(dens))
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