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eonc::MinModeSaddleSearch Member List

This is the complete list of members for eonc::MinModeSaddleSearch, including all inherited members.

clearClimbFrames()eonc::MinModeSaddleSearchinline
climb_frames_eonc::MinModeSaddleSearchprivate
climbFrames() consteonc::MinModeSaddleSearchinline
describeStatus(int status) const overrideeonc::MinModeSaddleSearchinlinevirtual
finalizeClimbStatus(int climbStatus, bool objectiveConverged) noexcepteonc::MinModeSaddleSearchinlinestatic
forcecallseonc::MinModeSaddleSearch
getEigenvalue()eonc::MinModeSaddleSearchvirtual
getEigenvector()eonc::MinModeSaddleSearchvirtual
getForceCalls() const overrideeonc::MinModeSaddleSearchinlinevirtual
getIterationCount() const overrideeonc::MinModeSaddleSearchinlinevirtual
getStatus() const overrideeonc::MinModeSaddleSearchinlinevirtual
initialTangent_eonc::MinModeSaddleSearchprivate
iterationeonc::MinModeSaddleSearch
logeonc::MinModeSaddleSearchprivate
mattereonc::MinModeSaddleSearchprivate
minModeMethodeonc::MinModeSaddleSearchprivate
MinModeSaddleSearch(std::shared_ptr< Matter > matterPassed, AtomMatrix modePassed, double reactantEnergyPassed, const Parameters &parametersPassed, std::shared_ptr< Potential > potPassed)eonc::MinModeSaddleSearch
MinModeSaddleSearch(const MinModeSaddleSearch &)=deleteeonc::MinModeSaddleSearch
MinModeSaddleSearch(MinModeSaddleSearch &&) noexcept=defaulteonc::MinModeSaddleSearch
modeeonc::MinModeSaddleSearchprivate
operator=(const MinModeSaddleSearch &)=deleteeonc::MinModeSaddleSearch
operator=(MinModeSaddleSearch &&) noexcept=defaulteonc::MinModeSaddleSearch
paramseonc::SaddleSearchMethodprotected
poteonc::SaddleSearchMethodprotected
reactantEnergyeonc::MinModeSaddleSearchprivate
retain_climb_frames_eonc::MinModeSaddleSearchprivate
run() overrideeonc::MinModeSaddleSearchvirtual
run(long max_iterations_override)eonc::MinModeSaddleSearch
runRetainFrames(long max_iterations_override=-1)eonc::MinModeSaddleSearch
SaddleSearchMethod(std::shared_ptr< Potential > potPassed, const Parameters &paramsPassed)eonc::SaddleSearchMethodinline
Status enum nameeonc::MinModeSaddleSearch
statuseonc::MinModeSaddleSearch
STATUS_BAD_HIGH_BARRIER enum valueeonc::MinModeSaddleSearch
STATUS_BAD_HIGH_ENERGY enum valueeonc::MinModeSaddleSearch
STATUS_BAD_MAX_CONCAVE_ITERATIONS enum valueeonc::MinModeSaddleSearch
STATUS_BAD_MAX_ITERATIONS enum valueeonc::MinModeSaddleSearch
STATUS_BAD_MD_TRAJECTORY_TOO_SHORT enum valueeonc::MinModeSaddleSearch
STATUS_BAD_MINIMA enum valueeonc::MinModeSaddleSearch
STATUS_BAD_NO_BARRIER enum valueeonc::MinModeSaddleSearch
STATUS_BAD_NO_CONVEX enum valueeonc::MinModeSaddleSearch
STATUS_BAD_NO_NEGATIVE_MODE_AT_SADDLE enum valueeonc::MinModeSaddleSearch
STATUS_BAD_NOT_CONNECTED enum valueeonc::MinModeSaddleSearch
STATUS_BAD_PREFACTOR enum valueeonc::MinModeSaddleSearch
STATUS_DIMER_LOST_MODE enum valueeonc::MinModeSaddleSearch
STATUS_DIMER_RESTORED_BEST enum valueeonc::MinModeSaddleSearch
STATUS_FAILED_PREFACTOR enum valueeonc::MinModeSaddleSearch
STATUS_GOOD enum valueeonc::MinModeSaddleSearch
STATUS_INIT enum valueeonc::MinModeSaddleSearch
STATUS_NEGATIVE_BARRIER enum valueeonc::MinModeSaddleSearch
STATUS_NONLOCAL_ABORT enum valueeonc::MinModeSaddleSearch
STATUS_NONNEGATIVE_ABORT enum valueeonc::MinModeSaddleSearch
STATUS_OPTIMIZER_ERROR enum valueeonc::MinModeSaddleSearch
STATUS_POTENTIAL_FAILED enum valueeonc::MinModeSaddleSearch
STATUS_ZEROMODE_ABORT enum valueeonc::MinModeSaddleSearch
statusMessage(int status)eonc::MinModeSaddleSearchinlinestatic
takeClimbFrames()eonc::MinModeSaddleSearchinline
~MinModeSaddleSearch()=defaulteonc::MinModeSaddleSearch
~SaddleSearchMethod()eonc::SaddleSearchMethodinlinevirtual