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Given the following text description, write Python code to implement the functionality described below step by step
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Description:
 Igrid[atomI] appears to be off by a factor of 12.6!
Step1:  Switching from nanometers to angstroms makes the multiplicative prefactor smaller, which is opposite of the desired effect!
Step2:  Igrid[atomI] appears to be off by a factor of 4*pi!
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Python Code:
# This is probably due to a unit conversion in a multiplicative prefactor
# This multiplicative prefactor is based on nanometers
r_min = 0.14
r_max = 1.0
print (1/r_min - 1/r_max)
# This multiplicative prefactor is based on angstroms
r_min = 1.4
r_max = 10.0
print (1/r_min - 1/r_max)
Explanation: Igrid[atomI] appears to be off by a factor of 12.6!
End of explanation
4*np.pi
Explanation: Switching from nanometers to angstroms makes the multiplicative prefactor smaller, which is opposite of the desired effect!
End of explanation
# This is after multiplication by 4*pi
# Sum for atom 0: 1.55022, 2.96246
# Sum for atom 1: 1.56983, 2.96756
# Sum for atom 2: 1.41972, 2.90796
# Sum for atom 3: 1.45936, 3.02879
# Sum for atom 4: 2.05316, 3.32989
# Sum for atom 5: 1.5354, 3.06405
# Sum for atom 6: 1.43417, 3.02438
# Sum for atom 7: 1.85508, 3.21875
# Sum for atom 8: 2.06909, 3.42013
# Sum for atom 9: 2.4237, 4.32524
# Sum for atom 10: 1.9603, 4.54512
# Sum for atom 11: 2.18017, 3.99349
# Sum for atom 12: 2.19774, 3.8152
# Sum for atom 13: 2.02152, 3.7884
# Sum for atom 14: 2.05662, 4.10305
# Sum for atom 15: 2.65659, 4.34157
# Sum for atom 16: 2.81839, 4.63688
# Sum for atom 17: 2.90653, 4.40561
# Sum for atom 18: 2.37779, 4.38092
# Sum for atom 19: 2.17795, 4.01659
# Sum for atom 20: 1.77652, 3.25573
# Sum for atom 21: 1.22359, 3.24223
# Sum for atom 22: 1.2336, 3.3604
# Sum for atom 23: 1.21771, 3.1483
Explanation: Igrid[atomI] appears to be off by a factor of 4*pi!
End of explanation
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