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38
orbitals/legendre.js
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38
orbitals/legendre.js
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function fact(n)
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{
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if (n <= 1)
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return 1
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for (var i = n - 1; i >= 1; i--)
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n *= i;
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return n
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}
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function assoc_legendre(l, m, x)
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{
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l = Math.floor(l);
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m = Math.floor(m);
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if (x > 1 || x < -1 || l < 0 || m > l)
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return 0;
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if (m === l)
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return (Math.pow(-1, m) * fact(2*m) / (Math.pow(2, m) * fact(m)) * Math.pow(1 - x*x, m/2))
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return (x * (2*l - 1) * assoc_legendre(l-1, m, x) - (l + m - 1) * assoc_legendre(l-2, m, x)) / (l - m)
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}
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function N(l, m)
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{
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return Math.sqrt((2*l + 1)/2 * fact(l-m) / fact(l+m));
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}
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function Y(l, m, theta, phi)
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{
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var a = 1 / Math.sqrt(2 * Math.PI) * N(l, Math.abs(m)) * assoc_legendre(l, Math.abs(m), Math.cos(theta))
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if(m >= 0)
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return a * Math.cos(m * phi)
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else
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return a * Math.sin(Math.abs(m) * phi)
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}
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149
orbitals/rendering.js
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149
orbitals/rendering.js
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function HSVtoRGB(h, s, v) {
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var r, g, b, i, f, p, q, t;
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if (arguments.length === 1) {
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s = h.s, v = h.v, h = h.h;
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}
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i = Math.floor(h * 6);
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f = h * 6 - i;
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p = v * (1 - s);
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q = v * (1 - f * s);
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t = v * (1 - (1 - f) * s);
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switch (i % 6) {
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case 0: r = v, g = t, b = p; break;
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case 1: r = q, g = v, b = p; break;
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case 2: r = p, g = v, b = t; break;
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case 3: r = p, g = q, b = v; break;
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case 4: r = t, g = p, b = v; break;
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case 5: r = v, g = p, b = q; break;
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}
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return {
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r: Math.round(r * 255),
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g: Math.round(g * 255),
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b: Math.round(b * 255)
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};
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}
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var canvas = document.querySelector('#screen');
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canvas.height = screen.height - 200;
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canvas.width = canvas.height;
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console.log(window.height)
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var gl = canvas.getContext("webgl");
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var VBO = gl.createBuffer();
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var vertices = [];
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function createModel()
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{
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var stepSize = Number(document.getElementById("stepSize").value);
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var l = Number(document.getElementById("l").value);
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var m = Number(document.getElementById("m").value);
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document.getElementById("lstepSize").innerHTML = stepSize;
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document.getElementById("ll").innerHTML = l;
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document.getElementById("lm").innerHTML = m;
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vertices = [];
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for(var theta = 0; theta <= Math.PI; theta += stepSize)
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{
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for(var phi = -Math.PI; phi <= Math.PI; phi += stepSize)
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{
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var length = Math.abs(Y(l, m, theta, phi));
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var x = length * Math.sin(theta) * Math.cos(phi);
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var y = length * Math.sin(theta) * Math.sin(phi);
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var z = length * Math.cos(theta);
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vertices.push(x);
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vertices.push(y);
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vertices.push(z);
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}
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}
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gl.bindBuffer(gl.ARRAY_BUFFER, VBO);
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gl.bufferData(gl.ARRAY_BUFFER, new Float32Array(vertices), gl.STATIC_DRAW);
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gl.bindBuffer(gl.ARRAY_BUFFER, null);
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}
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gl.clearColor(0, 0, 0, 1);
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gl.clear(gl.COLOR_BUFFER_BIT);
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createModel();
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var vertCode =
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'attribute vec3 coordinates;' +
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'uniform mat4 uModelMatrix;' +
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'uniform mat4 uModelViewMatrix;' +
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'uniform mat4 uProjectionMatrix;' +
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'void main(void) {' +
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' gl_Position = uProjectionMatrix * uModelViewMatrix * uModelMatrix * vec4(coordinates, 1.0);' +
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' gl_PointSize = 1.0;' +
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'}';
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var vertShader = gl.createShader(gl.VERTEX_SHADER);
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gl.shaderSource(vertShader, vertCode);
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gl.compileShader(vertShader);
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var fragCode =
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'void main(void) {' + 'gl_FragColor = vec4(0.2, 0.9, 0.2, 1.0);' + '}';
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var fragShader = gl.createShader(gl.FRAGMENT_SHADER);
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gl.shaderSource(fragShader, fragCode);
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gl.compileShader(fragShader);
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var shaderProgram = gl.createProgram();
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gl.attachShader(shaderProgram, vertShader);
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gl.attachShader(shaderProgram, fragShader);
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gl.linkProgram(shaderProgram);
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var modelMat = mat4.create()
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mat4.rotate(modelMat, modelMat, Math.PI / 2, [1.0, 0.0, 0]);
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var viewMat = mat4.create();
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mat4.translate(viewMat, viewMat, [0.0, 0.0, -3.0]);
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function drawScene()
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{
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gl.clearColor(0, 0, 0, 1);
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gl.clearDepth(1.0);
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gl.enable(gl.DEPTH_TEST);
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gl.depthFunc(gl.LEQUAL)
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gl.clear(gl.COLOR_BUFFER_BIT | gl.DEPTH_BUFFER_BIT);
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const fov = 45 * Math.PI / 180;
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const aspect = canvas.width / canvas.height;
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const zNear = 0.1;
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const zFar = 100.0;
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const projMat = mat4.create();
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mat4.perspective(projMat, fov, aspect, zNear, zFar);
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mat4.rotate(viewMat, viewMat, 0.05, [0.0, 1.0, 0.0]);
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gl.useProgram(shaderProgram);
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gl.bindBuffer(gl.ARRAY_BUFFER, VBO);
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gl.uniformMatrix4fv(gl.getUniformLocation(shaderProgram, "uModelMatrix"), false, modelMat);
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gl.uniformMatrix4fv(gl.getUniformLocation(shaderProgram, "uModelViewMatrix"), false, viewMat);
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gl.uniformMatrix4fv(gl.getUniformLocation(shaderProgram, "uProjectionMatrix"), false, projMat);
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var coord = gl.getAttribLocation(shaderProgram, "coordinates");
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gl.vertexAttribPointer(coord, 3, gl.FLOAT, false, 0, 0);
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gl.enableVertexAttribArray(coord);
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gl.viewport(0,0,canvas.width,canvas.height);
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gl.drawArrays(gl.POINTS, 0, vertices.length / 3);
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}
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var then = 0;
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function render(now) {
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now *= 0.001; // convert to seconds
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const deltaTime = now - then;
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then = now;
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drawScene();
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requestAnimationFrame(render);
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}
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requestAnimationFrame(render);
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