Loading...
Searching...
No Matches
MinModeSaddleSearch Member List

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

clearClimbFrames()MinModeSaddleSearchinline
climb_frames_MinModeSaddleSearchprivate
climbFrames() constMinModeSaddleSearchinline
describeStatus(int status) const overrideMinModeSaddleSearchinlinevirtual
finalizeClimbStatus(int climbStatus, bool objectiveConverged) noexceptMinModeSaddleSearchinlinestatic
forcecallsMinModeSaddleSearch
getEigenvalue()MinModeSaddleSearchvirtual
getEigenvector()MinModeSaddleSearchvirtual
getForceCalls() const overrideMinModeSaddleSearchinlinevirtual
getIterationCount() const overrideMinModeSaddleSearchinlinevirtual
getStatus() const overrideMinModeSaddleSearchinlinevirtual
initialTangent_MinModeSaddleSearchprivate
iterationMinModeSaddleSearch
logMinModeSaddleSearchprivate
matterMinModeSaddleSearchprivate
minModeMethodMinModeSaddleSearchprivate
MinModeSaddleSearch(std::shared_ptr< Matter > matterPassed, AtomMatrix modePassed, double reactantEnergyPassed, const Parameters &parametersPassed, std::shared_ptr< Potential > potPassed)MinModeSaddleSearch
MinModeSaddleSearch(const MinModeSaddleSearch &)=deleteMinModeSaddleSearch
MinModeSaddleSearch(MinModeSaddleSearch &&) noexcept=defaultMinModeSaddleSearch
modeMinModeSaddleSearchprivate
operator=(const MinModeSaddleSearch &)=deleteMinModeSaddleSearch
operator=(MinModeSaddleSearch &&) noexcept=defaultMinModeSaddleSearch
paramseonc::SaddleSearchMethodprotected
poteonc::SaddleSearchMethodprotected
reactantEnergyMinModeSaddleSearchprivate
retain_climb_frames_MinModeSaddleSearchprivate
run() overrideMinModeSaddleSearchvirtual
run(long max_iterations_override)MinModeSaddleSearch
runRetainFrames(long max_iterations_override=-1)MinModeSaddleSearch
SaddleSearchMethod(std::shared_ptr< Potential > potPassed, const Parameters &paramsPassed)eonc::SaddleSearchMethodinline
Status enum nameMinModeSaddleSearch
statusMinModeSaddleSearch
STATUS_BAD_HIGH_BARRIER enum valueMinModeSaddleSearch
STATUS_BAD_HIGH_ENERGY enum valueMinModeSaddleSearch
STATUS_BAD_MAX_CONCAVE_ITERATIONS enum valueMinModeSaddleSearch
STATUS_BAD_MAX_ITERATIONS enum valueMinModeSaddleSearch
STATUS_BAD_MD_TRAJECTORY_TOO_SHORT enum valueMinModeSaddleSearch
STATUS_BAD_MINIMA enum valueMinModeSaddleSearch
STATUS_BAD_NO_BARRIER enum valueMinModeSaddleSearch
STATUS_BAD_NO_CONVEX enum valueMinModeSaddleSearch
STATUS_BAD_NO_NEGATIVE_MODE_AT_SADDLE enum valueMinModeSaddleSearch
STATUS_BAD_NOT_CONNECTED enum valueMinModeSaddleSearch
STATUS_BAD_PREFACTOR enum valueMinModeSaddleSearch
STATUS_DIMER_LOST_MODE enum valueMinModeSaddleSearch
STATUS_DIMER_RESTORED_BEST enum valueMinModeSaddleSearch
STATUS_FAILED_PREFACTOR enum valueMinModeSaddleSearch
STATUS_GOOD enum valueMinModeSaddleSearch
STATUS_INIT enum valueMinModeSaddleSearch
STATUS_NEGATIVE_BARRIER enum valueMinModeSaddleSearch
STATUS_NONLOCAL_ABORT enum valueMinModeSaddleSearch
STATUS_NONNEGATIVE_ABORT enum valueMinModeSaddleSearch
STATUS_OPTIMIZER_ERROR enum valueMinModeSaddleSearch
STATUS_POTENTIAL_FAILED enum valueMinModeSaddleSearch
STATUS_ZEROMODE_ABORT enum valueMinModeSaddleSearch
statusMessage(int status)MinModeSaddleSearchinlinestatic
takeClimbFrames()MinModeSaddleSearchinline
~MinModeSaddleSearch()=defaultMinModeSaddleSearch
~SaddleSearchMethod()eonc::SaddleSearchMethodinlinevirtual