NAMD
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#include <Tensor.h>
Public Member Functions | |
Tensor (void) | |
Tensor (const Tensor &t2) | |
~Tensor (void) | |
Tensor & | operator= (const Tensor &t2) |
Tensor & | operator= (const BigReal &r2) |
Tensor & | operator+= (const Tensor &t2) |
Tensor & | operator-= (const Tensor &t2) |
Tensor & | operator*= (const BigReal &r2) |
Tensor & | operator/= (const BigReal &r2) |
void | outerAdd (BigReal scale, const Vector &v1, const Vector &v2) |
Static Public Member Functions | |
static Tensor | identity (BigReal v1=1.0) |
static Tensor | diagonal (const Vector &v1) |
static Tensor | symmetric (const Vector &v1, const Vector &v2) |
static 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 |
Friends | |
int | operator== (const Tensor &t1, const Tensor &t2) |
int | operator!= (const Tensor &t1, const Tensor &t2) |
Tensor | operator+ (const Tensor &t1, const Tensor &t2) |
Tensor | operator- (const Tensor &t1, const Tensor &t2) |
Tensor | operator- (const Tensor &t1) |
Tensor | operator* (const BigReal &r1, const Tensor &t2) |
Tensor | operator* (const Tensor &t1, const BigReal &r2) |
Tensor | operator/ (const Tensor &t1, const BigReal &r2) |
Vector | operator* (const Tensor &t1, const Vector &v2) |
Vector | operator* (const Vector &v1, const Tensor &t2) |
Tensor | outer (const Vector &v1, const Vector &v2) |
Tensor | transpose (const Tensor &t1) |
Tensor | symmetric (const Tensor &t1) |
Tensor | triangular (const Tensor &t1) |
Vector | diagonal (const Tensor &t1) |
Vector | off_diagonal (const Tensor &t1) |
BigReal | trace (const Tensor &t1) |
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().
Definition at line 31 of file Tensor.h.
Referenced by Controller::berendsenPressure(), Controller::calcPressure(), Controller::Controller(), Controller::langevinPiston1(), Controller::langevinPiston2(), Sequencer::multigratorPressure(), and Controller::multigratorPressure().
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().
Definition at line 194 of file Tensor.h.
Definition at line 198 of file Tensor.h.
Definition at line 152 of file Tensor.h.
Definition at line 160 of file Tensor.h.
Definition at line 241 of file Tensor.h.
Definition at line 178 of file Tensor.h.
Definition at line 170 of file Tensor.h.
Definition at line 186 of file Tensor.h.
BigReal Tensor::xx |
Definition at line 17 of file Tensor.h.
Referenced by Controller::berendsenPressure(), diagonal(), ComputeFullDirect::doWork(), ComputeNonbondedCUDA::finishReductions(), CudaComputeNonbonded::finishReductions(), HomePatch::hardWallDrude(), identity(), GridforceFullSubGrid::initialize(), Sequencer::langevinPiston(), Controller::langevinPiston1(), Controller::langevinPiston2(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), Sequencer::rattle1(), HomePatch::rattle1old(), GridforceFullBaseGrid::readHeader(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::xy |
Definition at line 17 of file Tensor.h.
Referenced by diagonal(), ComputeFullDirect::doWork(), ComputeNonbondedCUDA::finishReductions(), CudaComputeNonbonded::finishReductions(), GridforceFullSubGrid::initialize(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), Sequencer::rattle1(), GridforceFullBaseGrid::readHeader(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::xz |
Definition at line 17 of file Tensor.h.
Referenced by diagonal(), ComputeFullDirect::doWork(), ComputeNonbondedCUDA::finishReductions(), CudaComputeNonbonded::finishReductions(), GridforceFullSubGrid::initialize(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), Sequencer::rattle1(), GridforceFullBaseGrid::readHeader(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::yx |
Definition at line 18 of file Tensor.h.
Referenced by diagonal(), ComputeFullDirect::doWork(), ComputeNonbondedCUDA::finishReductions(), CudaComputeNonbonded::finishReductions(), GridforceFullSubGrid::initialize(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), Sequencer::rattle1(), GridforceFullBaseGrid::readHeader(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::yy |
Definition at line 18 of file Tensor.h.
Referenced by Controller::berendsenPressure(), diagonal(), ComputeFullDirect::doWork(), ComputeNonbondedCUDA::finishReductions(), CudaComputeNonbonded::finishReductions(), HomePatch::hardWallDrude(), identity(), GridforceFullSubGrid::initialize(), Sequencer::langevinPiston(), Controller::langevinPiston1(), Controller::langevinPiston2(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), Sequencer::rattle1(), HomePatch::rattle1old(), GridforceFullBaseGrid::readHeader(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::yz |
Definition at line 18 of file Tensor.h.
Referenced by diagonal(), ComputeFullDirect::doWork(), ComputeNonbondedCUDA::finishReductions(), CudaComputeNonbonded::finishReductions(), GridforceFullSubGrid::initialize(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), Sequencer::rattle1(), GridforceFullBaseGrid::readHeader(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::zx |
Definition at line 19 of file Tensor.h.
Referenced by diagonal(), ComputeFullDirect::doWork(), ComputeNonbondedCUDA::finishReductions(), CudaComputeNonbonded::finishReductions(), GridforceFullSubGrid::initialize(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), Sequencer::rattle1(), GridforceFullBaseGrid::readHeader(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::zy |
Definition at line 19 of file Tensor.h.
Referenced by diagonal(), ComputeFullDirect::doWork(), ComputeNonbondedCUDA::finishReductions(), CudaComputeNonbonded::finishReductions(), GridforceFullSubGrid::initialize(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), Sequencer::rattle1(), GridforceFullBaseGrid::readHeader(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().
BigReal Tensor::zz |
Definition at line 19 of file Tensor.h.
Referenced by Controller::berendsenPressure(), diagonal(), ComputeFullDirect::doWork(), ComputeNonbondedCUDA::finishReductions(), CudaComputeNonbonded::finishReductions(), HomePatch::hardWallDrude(), identity(), GridforceFullSubGrid::initialize(), Sequencer::langevinPiston(), Controller::langevinPiston1(), Controller::langevinPiston2(), operator*=(), operator+=(), operator-=(), operator/=(), operator<<(), operator=(), outer(), outerAdd(), Sequencer::rattle1(), HomePatch::rattle1old(), GridforceFullBaseGrid::readHeader(), symmetric(), Tensor(), GridforceFullSubGrid::tensorMult(), and triangular().