{"version":9,"randomSeed":"f9c58e8c9f25eacb31ea3a8c5075160d","graph":{"viewport":{"xmin":-2.5099546573843554,"ymin":-3.0675569590710987,"xmax":5.071751980974385,"ymax":4.403901148752216}},"expressions":{"list":[{"type":"folder","id":"112","title":"data","collapsed":true},{"type":"text","id":"97","folderId":"112","text":"types: 0 = nonexistent, 1 = central atom, 2 = terminal atom, 3 = lone 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k"},{"type":"expression","id":"128","folderId":"134","color":"#2d70b3","latex":"V\\left(n,k\\right)=\\left[x_{1}\\left[k\\right],y_{1}\\left[k\\right],z_{1}\\left[k\\right]\\right]-\\left[x_{1}\\left[n\\right],y_{1}\\left[n\\right],z_{1}\\left[n\\right]\\right]"},{"type":"text","id":"132","folderId":"134","text":"dot product of 3d vectors"},{"type":"expression","id":"135","folderId":"134","color":"#c74440","latex":"D\\left(u,v\\right)=u\\left[1\\right]v\\left[1\\right]+u\\left[2\\right]v\\left[2\\right]+u\\left[3\\right]v\\left[3\\right]"},{"type":"text","id":"170","folderId":"134","text":"magnitude of 3d vector"},{"type":"expression","id":"171","folderId":"134","color":"#388c46","latex":"M\\left(v\\right)=\\sqrt{D\\left(v,v\\right)}"},{"type":"text","id":"149","folderId":"134","text":"safety for reciprocals (use 1 instead of 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p"},{"type":"expression","id":"147","folderId":"122","color":"#6042a6","latex":"F_{T}\\left(p\\right)=\\sum_{q=1}^{\\operatorname{length}\\left(t_{1}\\right)}F_{R}\\left(p,q\\right)","hidden":true},{"type":"folder","id":"137","title":"actions"},{"type":"text","id":"141","folderId":"137","text":"time step"},{"type":"expression","id":"142","folderId":"137","color":"#000000","latex":"d_{t}=0.1","slider":{"hardMin":true,"hardMax":true,"min":"0","max":"1"}},{"type":"text","id":"139","folderId":"137","text":"apply repulsion forces"},{"type":"expression","id":"143","folderId":"137","color":"#c74440","latex":"A_{Rx}=\\left(x_{1}\\to x_{1}+\\left[F_{T}\\left(1\\right)\\left[1\\right],F_{T}\\left(2\\right)\\left[1\\right],F_{T}\\left(3\\right)\\left[1\\right],F_{T}\\left(4\\right)\\left[1\\right],F_{T}\\left(5\\right)\\left[1\\right]\\right]d_{t}\\right)"},{"type":"expression","id":"160","folderId":"137","color":"#c74440","latex":"A_{Ry}=\\left(y_{1}\\to y_{1}+\\left[F_{T}\\left(1\\right)\\left[2\\right],F_{T}\\left(2\\right)\\left[2\\right],F_{T}\\left(3\\right)\\left[2\\right],F_{T}\\left(4\\right)\\left[2\\right],F_{T}\\left(5\\right)\\left[2\\right]\\right]d_{t}\\right)"},{"type":"expression","id":"161","folderId":"137","color":"#2d70b3","latex":"A_{Rz}=\\left(z_{1}\\to z_{1}+\\left[F_{T}\\left(1\\right)\\left[3\\right],F_{T}\\left(2\\right)\\left[3\\right],F_{T}\\left(3\\right)\\left[3\\right],F_{T}\\left(4\\right)\\left[3\\right],F_{T}\\left(5\\right)\\left[3\\right]\\right]d_{t}\\right)"},{"type":"text","id":"163","folderId":"137","text":"list comprehensions don't work?"},{"type":"expression","id":"157","folderId":"137","color":"#388c46","latex":"\\left[F_{T}\\left(n\\right)\\left[1\\right]\\operatorname{for}n=\\left[1...5\\right]\\right]"},{"type":"text","id":"167","folderId":"137","text":"calculate bond lengths"},{"type":"expression","id":"172","folderId":"137","color":"#6042a6","latex":"m_{1}=\\left[1,1.1569859985652617,1.1712692813925123,1.1712692813925123,1\\right]","hidden":true},{"type":"expression","id":"168","folderId":"137","color":"#c74440","latex":"A_{L}=\\left(m_{1}\\to\\left[S\\left(M\\left(\\left[x_{1}\\left[n\\right],y_{1}\\left[n\\right],z_{1}\\left[n\\right]\\right]-\\left[x_{1}\\left[1\\right],y_{1}\\left[1\\right],z_{1}\\left[1\\right]\\right]\\right)\\right)\\operatorname{for}n=\\left[1...5\\right]\\right]\\right)"},{"type":"text","id":"175","folderId":"137","text":"normalise bonds"},{"type":"expression","id":"176","folderId":"137","color":"#2d70b3","latex":"A_{N}=\\left(x_{1}\\to\\frac{x_{1}}{m_{1}},y_{1}\\to\\frac{y_{1}}{m_{1}},z_{1}\\to\\frac{z_{1}}{m_{1}}\\right)"}]}}