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Long-timescale dynamics: aKMC, NEB, parallel replica
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eonc::ImprovedDimer Member List
This is the complete list of members for
eonc::ImprovedDimer
, including all inherited members.
a
eonc::ImprovedDimer
b
eonc::ImprovedDimer
C_tau
eonc::ImprovedDimer
clearReferenceMode
()
eonc::ImprovedDimer
compute
(std::shared_ptr< Matter > matter, AtomMatrix initialDirection)
eonc::ImprovedDimer
F_R
eonc::ImprovedDimer
F_R_Old
eonc::ImprovedDimer
fixedReferenceMode
eonc::ImprovedDimer
private
foundNegativeCurvature
eonc::ImprovedDimer
gamma
eonc::ImprovedDimer
getEigenvalue
()
eonc::ImprovedDimer
getEigenvector
()
eonc::ImprovedDimer
gradients
eonc::ImprovedDimer
hasFixedReference
eonc::ImprovedDimer
private
ImprovedDimer
(std::shared_ptr< Matter > matter, const Parameters ¶ms, std::shared_ptr< Potential > pot)
eonc::ImprovedDimer
init_cg
eonc::ImprovedDimer
init_lbfgs
eonc::ImprovedDimer
log
eonc::ImprovedDimer
private
LowestEigenmode
(std::shared_ptr< Potential > potPassed, const Parameters ¶meters)
eonc::LowestEigenmode
inline
MINMODE_DAVIDSON
eonc::LowestEigenmode
static
MINMODE_DIMER
eonc::LowestEigenmode
static
MINMODE_GPRDIMER
eonc::LowestEigenmode
static
MINMODE_LANCZOS
eonc::LowestEigenmode
static
OPT_CG
eonc::ImprovedDimer
static
OPT_LBFGS
eonc::ImprovedDimer
static
OPT_SD
eonc::ImprovedDimer
static
params
eonc::LowestEigenmode
protected
positions
eonc::ImprovedDimer
pot
eonc::LowestEigenmode
protected
rho
eonc::ImprovedDimer
rotationDidConverge
eonc::ImprovedDimer
rPrev
eonc::ImprovedDimer
s
eonc::ImprovedDimer
setReferenceMode
(const VectorXd &ref)
eonc::ImprovedDimer
statsAngle
eonc::LowestEigenmode
statsCurvature
eonc::LowestEigenmode
statsRotations
eonc::LowestEigenmode
statsTorque
eonc::LowestEigenmode
tau
eonc::ImprovedDimer
theta
eonc::ImprovedDimer
thetaOld
eonc::ImprovedDimer
totalForceCalls
eonc::LowestEigenmode
totalIterations
eonc::LowestEigenmode
x0
eonc::ImprovedDimer
x1
eonc::ImprovedDimer
y
eonc::ImprovedDimer
~ImprovedDimer
()=default
eonc::ImprovedDimer
~LowestEigenmode
()=default
eonc::LowestEigenmode
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