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