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Hi,
I keep having this issue, and as I try to solve it persists (in google colab).
'TensorPropagator' object has no attribute 'pot_eng'
in this line (325):
pot = sum([d * pot for d, pot i…
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(1)There is no problem in using CPU to accelerate the calculation of meam potential
(2)When using KOKKOS to accelerate the meam potential, the calculation error occurs, and the total energy calculate…
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Hi
Thanks for IL topologies. I was just trying to simulate a system bmimpf6. The problem is that if I do energy minimization, it is giving negative potential energy. this is the minimizatio…
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# HIP 128: Energy Subnetwork
- Author(s): [@frahlg](https://github.com/frahlg), [@jthiller](https://github.com/jthiller), [@abhay](https://github.com/abhay), [@T0bias0lss0n](https://github.com/h0bb…
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![energyconservationmd](https://user-images.githubusercontent.com/11842217/28848959-1a636dc4-76d2-11e7-9e5c-b474bbdfd9aa.png)
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Analysis of real-time domestic consumer data and industrial electrical energy consumption data, providing valuable insights for decision-making & using mathematics, statistics, predicting report.
Con…
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In addition to the information menu #18 , it would be interesting to be able to analyze changes in parameters over time or in other parameters, to see them evolve on graphs, for example.
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do we have to include calculation of PE/ionpair in the code ?
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Is this the the potential energy function for the Na4Cl4 cluster that we are going to use for it optimization?
![Screenshot from 2023-11-26 22-12-51](https://github.com/ubsuny/23-Homework7G1/assets/1…
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do we have to calculate the potential energy per ion pair in the code ??? or the total potential energy is enough ??