Namespace ScineΒΆ

namespace Scine
namespace Readuct
class IrcTask : public Scine::Readuct::Task
#include <IrcTask.h>

A task to run an IRC optimization using a given normal mode.

class Task
#include <Task.h>

The base class for all tasks in Readuct.

Subclassed by Scine::Readuct::AfirOptimizationTask, Scine::Readuct::BondOrderTask, Scine::Readuct::BSplineInterpolationTask, Scine::Readuct::GeometryOptimizationTask, Scine::Readuct::HessianTask, Scine::Readuct::IrcTask, Scine::Readuct::SinglePointTask, Scine::Readuct::TsOptimizationTask

class TaskFactory
#include <TaskFactory.h>

A factory generating Tasks by name (mainly).