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/dports/science/gromacs/gromacs-2021.4/src/gromacs/pulling/
H A Dpullutil.cpp472 real twopi_box, in sum_com_part_cosweight() argument
494 real cw = std::cos(x[ii][cosdim] * twopi_box); in sum_com_part_cosweight()
495 real sw = std::sin(x[ii][cosdim] * twopi_box); in sum_com_part_cosweight()
504 real cw = std::cos(xp[ii][cosdim] * twopi_box); in sum_com_part_cosweight()
505 real sw = std::sin(xp[ii][cosdim] * twopi_box); in sum_com_part_cosweight()
528 real twopi_box = 0; in pull_calc_coms() local
568 twopi_box = 2.0 * M_PI / pbc->box[pull->cosdim][pull->cosdim]; in pull_calc_coms()
775 pgrp->x[pull->cosdim] = atan2_0_2pi(snw, csw) / twopi_box; in pull_calc_coms()
791 pgrp->localWeights[i] = csw * std::cos(twopi_box * x[ii][pull->cosdim]) in pull_calc_coms()
792 + snw * std::sin(twopi_box * x[ii][pull->cosdim]); in pull_calc_coms()
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