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17 lines
360 B
17 lines
360 B
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)) |