eOn client
Long-timescale dynamics: aKMC, NEB, parallel replica
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eonc::MinModeSaddleSearch Member List
This is the complete list of members for
eonc::MinModeSaddleSearch
, including all inherited members.
clearClimbFrames
()
eonc::MinModeSaddleSearch
inline
climb_frames_
eonc::MinModeSaddleSearch
private
climbFrames
() const
eonc::MinModeSaddleSearch
inline
describeStatus
(int status) const override
eonc::MinModeSaddleSearch
inline
virtual
finalizeClimbStatus
(int climbStatus, bool objectiveConverged) noexcept
eonc::MinModeSaddleSearch
inline
static
forcecalls
eonc::MinModeSaddleSearch
getEigenvalue
()
eonc::MinModeSaddleSearch
virtual
getEigenvector
()
eonc::MinModeSaddleSearch
virtual
getForceCalls
() const override
eonc::MinModeSaddleSearch
inline
virtual
getIterationCount
() const override
eonc::MinModeSaddleSearch
inline
virtual
getStatus
() const override
eonc::MinModeSaddleSearch
inline
virtual
initialTangent_
eonc::MinModeSaddleSearch
private
iteration
eonc::MinModeSaddleSearch
log
eonc::MinModeSaddleSearch
private
matter
eonc::MinModeSaddleSearch
private
minModeMethod
eonc::MinModeSaddleSearch
private
MinModeSaddleSearch
(std::shared_ptr< Matter > matterPassed, AtomMatrix modePassed, double reactantEnergyPassed, const Parameters ¶metersPassed, std::shared_ptr< Potential > potPassed)
eonc::MinModeSaddleSearch
MinModeSaddleSearch
(const MinModeSaddleSearch &)=delete
eonc::MinModeSaddleSearch
MinModeSaddleSearch
(MinModeSaddleSearch &&) noexcept=default
eonc::MinModeSaddleSearch
mode
eonc::MinModeSaddleSearch
private
operator=
(const MinModeSaddleSearch &)=delete
eonc::MinModeSaddleSearch
operator=
(MinModeSaddleSearch &&) noexcept=default
eonc::MinModeSaddleSearch
params
eonc::SaddleSearchMethod
protected
pot
eonc::SaddleSearchMethod
protected
reactantEnergy
eonc::MinModeSaddleSearch
private
retain_climb_frames_
eonc::MinModeSaddleSearch
private
run
() override
eonc::MinModeSaddleSearch
virtual
run
(long max_iterations_override)
eonc::MinModeSaddleSearch
runRetainFrames
(long max_iterations_override=-1)
eonc::MinModeSaddleSearch
SaddleSearchMethod
(std::shared_ptr< Potential > potPassed, const Parameters ¶msPassed)
eonc::SaddleSearchMethod
inline
Status
enum name
eonc::MinModeSaddleSearch
status
eonc::MinModeSaddleSearch
STATUS_BAD_HIGH_BARRIER
enum value
eonc::MinModeSaddleSearch
STATUS_BAD_HIGH_ENERGY
enum value
eonc::MinModeSaddleSearch
STATUS_BAD_MAX_CONCAVE_ITERATIONS
enum value
eonc::MinModeSaddleSearch
STATUS_BAD_MAX_ITERATIONS
enum value
eonc::MinModeSaddleSearch
STATUS_BAD_MD_TRAJECTORY_TOO_SHORT
enum value
eonc::MinModeSaddleSearch
STATUS_BAD_MINIMA
enum value
eonc::MinModeSaddleSearch
STATUS_BAD_NO_BARRIER
enum value
eonc::MinModeSaddleSearch
STATUS_BAD_NO_CONVEX
enum value
eonc::MinModeSaddleSearch
STATUS_BAD_NO_NEGATIVE_MODE_AT_SADDLE
enum value
eonc::MinModeSaddleSearch
STATUS_BAD_NOT_CONNECTED
enum value
eonc::MinModeSaddleSearch
STATUS_BAD_PREFACTOR
enum value
eonc::MinModeSaddleSearch
STATUS_DIMER_LOST_MODE
enum value
eonc::MinModeSaddleSearch
STATUS_DIMER_RESTORED_BEST
enum value
eonc::MinModeSaddleSearch
STATUS_FAILED_PREFACTOR
enum value
eonc::MinModeSaddleSearch
STATUS_GOOD
enum value
eonc::MinModeSaddleSearch
STATUS_INIT
enum value
eonc::MinModeSaddleSearch
STATUS_NEGATIVE_BARRIER
enum value
eonc::MinModeSaddleSearch
STATUS_NONLOCAL_ABORT
enum value
eonc::MinModeSaddleSearch
STATUS_NONNEGATIVE_ABORT
enum value
eonc::MinModeSaddleSearch
STATUS_OPTIMIZER_ERROR
enum value
eonc::MinModeSaddleSearch
STATUS_POTENTIAL_FAILED
enum value
eonc::MinModeSaddleSearch
STATUS_ZEROMODE_ABORT
enum value
eonc::MinModeSaddleSearch
statusMessage
(int status)
eonc::MinModeSaddleSearch
inline
static
takeClimbFrames
()
eonc::MinModeSaddleSearch
inline
~MinModeSaddleSearch
()=default
eonc::MinModeSaddleSearch
~SaddleSearchMethod
()
eonc::SaddleSearchMethod
inline
virtual
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