NAMD
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Functions | |
for (int i=0;i< n1;++i) | |
Variables | |
const BigReal | coulomb |
BigReal * | dp1 = data1 |
BigReal * | rp1 = results1 |
int | j_begin = 0 |
register BigReal | electEnergy = 0. |
register BigReal | virial_xx = 0. |
register BigReal | virial_xy = 0. |
register BigReal | virial_xz = 0. |
register BigReal | virial_yy = 0. |
register BigReal | virial_yz = 0. |
register BigReal | virial_zz = 0. |
virial | xx = virial_xx |
virial | xy = virial_xy |
virial | xz = virial_xz |
virial | yx = virial_xy |
virial | yy = virial_yy |
virial | yz = virial_yz |
virial | zx = virial_xz |
virial | zy = virial_yz |
virial | zz = virial_zz |
for | ( | ) |
Definition at line 34 of file ComputeFullDirectBase.h.
References j_begin, p_ij_x, p_ij_y, and p_ij_z.
Referenced by ComputeQMMgr::calcMOPAC(), ComputeQMMgr::calcORCA(), ComputeQMMgr::calcUSR(), GridforceLiteGrid::compute_VdV(), gather_force(), Sequencer::langevinPiston(), ComputeMgr::recvComputeConsForceMsg(), and ComputeQMMgr::storeQMRes().
const BigReal coulomb |
Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.
Definition at line 12 of file ComputeFullDirectBase.h.
BigReal* dp1 = data1 |
Definition at line 14 of file ComputeFullDirectBase.h.
return electEnergy = 0. |
Definition at line 17 of file ComputeFullDirectBase.h.
Referenced by ComputeFullDirect::doWork(), and for().
int j_begin = 0 |
Definition at line 16 of file ComputeFullDirectBase.h.
Referenced by for().
BigReal* rp1 = results1 |
Definition at line 15 of file ComputeFullDirectBase.h.
register BigReal virial_xx = 0. |
Definition at line 18 of file ComputeFullDirectBase.h.
Referenced by Patch::forceBoxClosed().
register BigReal virial_xy = 0. |
Definition at line 19 of file ComputeFullDirectBase.h.
Referenced by Patch::forceBoxClosed().
register BigReal virial_xz = 0. |
Definition at line 20 of file ComputeFullDirectBase.h.
Referenced by Patch::forceBoxClosed().
register BigReal virial_yy = 0. |
Definition at line 21 of file ComputeFullDirectBase.h.
Referenced by Patch::forceBoxClosed().
register BigReal virial_yz = 0. |
Definition at line 22 of file ComputeFullDirectBase.h.
Referenced by Patch::forceBoxClosed().
register BigReal virial_zz = 0. |
Definition at line 23 of file ComputeFullDirectBase.h.
Referenced by Patch::forceBoxClosed().
virial xx = virial_xx |
Definition at line 91 of file ComputeFullDirectBase.h.
Referenced by Vector::cross(), MatrixFitRMS(), and vec_rotation_matrix().
virial xy = virial_xy |
Definition at line 92 of file ComputeFullDirectBase.h.
Referenced by ComputePmeCUDAMgr::recvPencils(), and vec_rotation_matrix().
virial xz = virial_xz |
Definition at line 93 of file ComputeFullDirectBase.h.
virial yx = virial_xy |
Definition at line 94 of file ComputeFullDirectBase.h.
virial yy = virial_yy |
Definition at line 95 of file ComputeFullDirectBase.h.
Referenced by Vector::cross(), and vec_rotation_matrix().
virial yz = virial_yz |
Definition at line 96 of file ComputeFullDirectBase.h.
Referenced by vec_rotation_matrix().
virial zx = virial_xz |
Definition at line 97 of file ComputeFullDirectBase.h.
Referenced by vec_rotation_matrix().
virial zy = virial_yz |
Definition at line 98 of file ComputeFullDirectBase.h.
virial zz = virial_zz |
Definition at line 99 of file ComputeFullDirectBase.h.
Referenced by vec_rotation_matrix().