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Namespaces | |
| namespace | eonc |
| RAII resource manager for the ARTn C library with global synchronization. | |
| namespace | eonc::helpers |
| namespace | eonc::helpers::neb_paths |
Functions | |
| std::vector< Matter > | eonc::helpers::neb_paths::linearPath (const Matter &initImg, const Matter &finalImg, const size_t nimgs) |
| std::vector< Matter > | eonc::helpers::neb_paths::filePathInit (const std::vector< fs::path > &fsrcs, const Matter &refImg, const size_t nimgs) |
| AtomMatrix | eonc::helpers::neb_paths::cubicInterpolate (const AtomMatrix &P0, const AtomMatrix &T0, const AtomMatrix &P1, const AtomMatrix &T1, double f) |
| Interpolates positions using a cubic Hermite spline. | |
| std::vector< Matter > | eonc::helpers::neb_paths::resamplePath (const std::vector< Matter > &densePath, size_t targetCount) |
| void | eonc::helpers::neb_paths::resamplePathInPlace (std::span< std::shared_ptr< Matter > > path) |
| In-place path reparameterization for NEB shared_ptr paths. | |
| std::vector< fs::path > | eonc::helpers::neb_paths::readFilePaths (const std::string &listFilePath) |
| Reads a file where each line contains a path to another file. | |
| MatrixXd | eonc::helpers::neb_paths::getDistanceMatrix (const Matter &m) |
| std::vector< Matter > | eonc::helpers::neb_paths::idppPath (const Matter &initImg, const Matter &finalImg, const size_t nimgs, const Parameters ¶ms, bool use_zbl) |
| std::vector< Matter > | eonc::helpers::neb_paths::idppCollectivePath (const Matter &initImg, const Matter &finalImg, size_t nimgs, const Parameters ¶ms, bool use_zbl) |
| std::vector< Matter > | eonc::helpers::neb_paths::sidppPath (const Matter &initImg, const Matter &finalImg, size_t target_nimgs, const Parameters ¶ms, bool use_zbl) |
| Matter | eonc::helpers::neb_paths::interpolateImage (const Matter &A, const Matter &B, double fraction) |
| std::shared_ptr< Potential > | eonc::helpers::neb_paths::createZBLPotential () |