Made the timestep calculation example more explicit and added another example#88
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davidlmobley merged 1 commit intoMobleyLab:masterfrom Aug 17, 2018
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I was talking with a labmate of mine about this example, and he didn't know how I obtained the 8 fs calculation of the oscillation period for the H-H bond. I think putting the equation in explicitly makes it more clear. I also realized that an example for an ab initio simulation would be helpful, so I put that in too. So nice to be able to make changes after submission! |
davidlmobley
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Thanks! And yes, doesn't it feel like this is the way it should have been all along?? :)
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