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129 | // rotate the momentum acoording to: ji[] = rot[][] * ji[] | |
130 | ji = rot * ji; | |
131 | ||
132 | – | |
132 | // This code comes from converting an algorithm detailed in | |
133 | // J. Chem. Phys. 107 (15), pp. 5840-5851 by Dullweber, | |
134 | // Leimkuhler and McLachlan (DLM) for use in our code. |
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