Adeola Kola-Olaleye adeolaex
adeolaex
/ ffenergy_copy.js
Created
June 22, 2022 16:48
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| // Simplified model with only 3 types of interactions | |
| // | |
| // The following parameters will be extracted from another program module. | |
| // | |
| // Here, the physical parameters for methanol are given. | |
| // Stretching force constants: | |
| const K = [340.0, 340.0, 340.0, 320.0, 553.0]; | |
| // Ideal bond distances | |
| const re = [1.09, 1.09, 1.09, 1.41, 0.945]; | |
| // Deformation force constants (for angles): |