A new version of the code to simulate the oxDNA/oxRNA models, now equipped with Python bindings
GNU General Public License v3.0
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[BUG???] get_vectors_from_quat() different than ouldridge(2011, p.152) phd thesis and rapaport (1985) #91
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alphataubio closed 4 months ago
Not sure if this a a bug or im missing something. When i look at CUDA_lr_common.cuh:40 vs Ouldridge (2011) phd thesis p.152, then
a1.x = (sqx - sqy - sqz + sqw); BUT a1.x = sqx + sqy - sqz - sqw in phd thesis a1.y = 2 * (xy + zw); BUT a1.y = 2 (yz + xw) in phd thesis a1.z = 2 * (xz - yw); BUT a1.z = 2 (yw - xz) in phd thesis
a3.x = 2 * (xz + yw); OK a3.x = 2(yw+xz) same as phd thesis a3.y = 2 * (yz - xw); BUT a3.y = 2(zw-xy) in phd thesis a3.z = (-sqx - sqy + sqz + sqw); BUT a3.z = sqx - sqy - sqz + sqw in phd thesis