This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
// 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): |