NAMD
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#include <Tensor.h>
Public Member Functions | |
NAMD_HOST_DEVICE | Tensor (void) |
NAMD_HOST_DEVICE | Tensor (const Tensor &t2) |
NAMD_HOST_DEVICE | ~Tensor (void) |
NAMD_HOST_DEVICE Tensor & | operator= (const Tensor &t2) |
NAMD_HOST_DEVICE Tensor & | operator= (const BigReal &r2) |
NAMD_HOST_DEVICE Tensor & | operator+= (const Tensor &t2) |
NAMD_HOST_DEVICE Tensor & | operator-= (const Tensor &t2) |
NAMD_HOST_DEVICE Tensor & | operator*= (const BigReal &r2) |
NAMD_HOST_DEVICE Tensor & | operator/= (const BigReal &r2) |
NAMD_HOST_DEVICE void | outerAdd (BigReal scale, const Vector &v1, const Vector &v2) |
Static Public Member Functions | |
static NAMD_HOST_DEVICE Tensor | identity (BigReal v1=1.0) |
static NAMD_HOST_DEVICE Tensor | diagonal (const Vector &v1) |
static NAMD_HOST_DEVICE Tensor | symmetric (const Vector &v1, const Vector &v2) |
static NAMD_HOST_DEVICE Tensor | triangular (const Vector &v1, const Vector &v2) |
Public Attributes | |
BigReal | xx |
BigReal | xy |
BigReal | xz |
BigReal | yx |
BigReal | yy |
BigReal | yz |
BigReal | zx |
BigReal | zy |
BigReal | zz |
Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.
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Definition at line 37 of file Tensor.h.
References Vector::x, xx, xy, xz, Vector::y, yx, yy, yz, Vector::z, zx, zy, and zz.
Referenced by Controller::berendsenPressure(), Controller::calcPressure(), GridforceFullBaseGrid::compute_VdV(), GridforceFullSubGrid::initialize(), Controller::langevinPiston1(), and Controller::langevinPiston2().
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Definition at line 31 of file Tensor.h.
Referenced by Controller::berendsenPressure(), Controller::calcPressure(), Controller::Controller(), Controller::langevinPiston1(), Controller::langevinPiston2(), Controller::monteCarloPressure_prepare(), Sequencer::multigratorPressure(), and Controller::multigratorPressure().
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NAMD_HOST_DEVICE void Tensor::outerAdd | ( | BigReal | scale, |
const Vector & | v1, | ||
const Vector & | v2 | ||
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Definition at line 255 of file Tensor.h.
References Vector::x, xx, xy, xz, Vector::y, yx, yy, yz, Vector::z, zx, zy, and zz.
Referenced by Sequencer::calcFixVirial(), Sequencer::multigratorPressure(), Sequencer::multigratorTemperature(), Sequencer::submitHalfstep(), Sequencer::submitMinimizeReductions(), and Sequencer::submitReductions().
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Definition at line 194 of file Tensor.h.
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Definition at line 198 of file Tensor.h.
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Definition at line 152 of file Tensor.h.
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Definition at line 160 of file Tensor.h.
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Definition at line 241 of file Tensor.h.
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Definition at line 178 of file Tensor.h.
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Definition at line 170 of file Tensor.h.
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Definition at line 186 of file Tensor.h.
BigReal Tensor::xx |
Definition at line 17 of file Tensor.h.
Referenced by Controller::berendsenPressure(), Sequencer::berendsenPressure_SOA(), Controller::calcPressure(), diagonal(), ComputeFullDirect::doWork(), CudaComputeNonbonded::finishReductions(), HomePatch::hardWallDrude(), identity(), GridforceFullSubGrid::initialize(), Sequencer::langevinPiston(), Controller::langevinPiston1(), Controller::langevinPiston2(), Sequencer::langevinPiston_SOA(), Controller::monteCarloPressure_prepare(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), print_tensor(), Controller::printEnergies(), Sequencer::rattle1(), HomePatch::rattle1_SOA(), HomePatch::rattle1old(), GridforceFullBaseGrid::readHeader(), Sequencer::submitHalfstep_SOA(), Sequencer::submitReductions(), Sequencer::submitReductions_SOA(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::xy |
Definition at line 17 of file Tensor.h.
Referenced by Sequencer::berendsenPressure_SOA(), Controller::calcPressure(), diagonal(), ComputeFullDirect::doWork(), CudaComputeNonbonded::finishReductions(), GridforceFullSubGrid::initialize(), Sequencer::langevinPiston_SOA(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), print_tensor(), Controller::printEnergies(), Sequencer::rattle1(), HomePatch::rattle1_SOA(), GridforceFullBaseGrid::readHeader(), Sequencer::submitHalfstep_SOA(), Sequencer::submitReductions(), Sequencer::submitReductions_SOA(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::xz |
Definition at line 17 of file Tensor.h.
Referenced by Sequencer::berendsenPressure_SOA(), Controller::calcPressure(), diagonal(), ComputeFullDirect::doWork(), CudaComputeNonbonded::finishReductions(), GridforceFullSubGrid::initialize(), Sequencer::langevinPiston_SOA(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), print_tensor(), Controller::printEnergies(), Sequencer::rattle1(), HomePatch::rattle1_SOA(), GridforceFullBaseGrid::readHeader(), Sequencer::submitHalfstep_SOA(), Sequencer::submitReductions(), Sequencer::submitReductions_SOA(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::yx |
Definition at line 18 of file Tensor.h.
Referenced by Sequencer::berendsenPressure_SOA(), Controller::calcPressure(), diagonal(), ComputeFullDirect::doWork(), CudaComputeNonbonded::finishReductions(), GridforceFullSubGrid::initialize(), Sequencer::langevinPiston_SOA(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), print_tensor(), Controller::printEnergies(), Sequencer::rattle1(), HomePatch::rattle1_SOA(), GridforceFullBaseGrid::readHeader(), Sequencer::submitHalfstep_SOA(), Sequencer::submitReductions(), Sequencer::submitReductions_SOA(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::yy |
Definition at line 18 of file Tensor.h.
Referenced by Controller::berendsenPressure(), Sequencer::berendsenPressure_SOA(), Controller::calcPressure(), diagonal(), ComputeFullDirect::doWork(), CudaComputeNonbonded::finishReductions(), HomePatch::hardWallDrude(), identity(), GridforceFullSubGrid::initialize(), Sequencer::langevinPiston(), Controller::langevinPiston1(), Controller::langevinPiston2(), Sequencer::langevinPiston_SOA(), Controller::monteCarloPressure_prepare(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), print_tensor(), Controller::printEnergies(), Sequencer::rattle1(), HomePatch::rattle1_SOA(), HomePatch::rattle1old(), GridforceFullBaseGrid::readHeader(), Sequencer::submitHalfstep_SOA(), Sequencer::submitReductions(), Sequencer::submitReductions_SOA(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::yz |
Definition at line 18 of file Tensor.h.
Referenced by Sequencer::berendsenPressure_SOA(), Controller::calcPressure(), diagonal(), ComputeFullDirect::doWork(), CudaComputeNonbonded::finishReductions(), GridforceFullSubGrid::initialize(), Sequencer::langevinPiston_SOA(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), print_tensor(), Controller::printEnergies(), Sequencer::rattle1(), HomePatch::rattle1_SOA(), GridforceFullBaseGrid::readHeader(), Sequencer::submitHalfstep_SOA(), Sequencer::submitReductions(), Sequencer::submitReductions_SOA(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::zx |
Definition at line 19 of file Tensor.h.
Referenced by Sequencer::berendsenPressure_SOA(), Controller::calcPressure(), diagonal(), ComputeFullDirect::doWork(), CudaComputeNonbonded::finishReductions(), GridforceFullSubGrid::initialize(), Sequencer::langevinPiston_SOA(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), print_tensor(), Controller::printEnergies(), Sequencer::rattle1(), HomePatch::rattle1_SOA(), GridforceFullBaseGrid::readHeader(), Sequencer::submitHalfstep_SOA(), Sequencer::submitReductions(), Sequencer::submitReductions_SOA(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::zy |
Definition at line 19 of file Tensor.h.
Referenced by Sequencer::berendsenPressure_SOA(), Controller::calcPressure(), diagonal(), ComputeFullDirect::doWork(), CudaComputeNonbonded::finishReductions(), GridforceFullSubGrid::initialize(), Sequencer::langevinPiston_SOA(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), print_tensor(), Controller::printEnergies(), Sequencer::rattle1(), HomePatch::rattle1_SOA(), GridforceFullBaseGrid::readHeader(), Sequencer::submitHalfstep_SOA(), Sequencer::submitReductions(), Sequencer::submitReductions_SOA(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::zz |
Definition at line 19 of file Tensor.h.
Referenced by Controller::berendsenPressure(), Sequencer::berendsenPressure_SOA(), Controller::calcPressure(), diagonal(), ComputeFullDirect::doWork(), CudaComputeNonbonded::finishReductions(), HomePatch::hardWallDrude(), identity(), GridforceFullSubGrid::initialize(), Sequencer::langevinPiston(), Controller::langevinPiston1(), Controller::langevinPiston2(), Sequencer::langevinPiston_SOA(), Controller::monteCarloPressure_prepare(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), print_tensor(), Controller::printEnergies(), Sequencer::rattle1(), HomePatch::rattle1_SOA(), HomePatch::rattle1old(), GridforceFullBaseGrid::readHeader(), Sequencer::submitHalfstep_SOA(), Sequencer::submitReductions(), Sequencer::submitReductions_SOA(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().