Molassembler  3.0.0
Molecule graph and conformer library
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Lbfgs.h File Reference
#include "Molassembler/Temple/Optimization/Common.h"
#include <utility>
Include dependency graph for Lbfgs.h:

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Data Structures

class  Scine::Molassembler::Temple::Lbfgs< FloatType, ringBufferSize >
 LBFGS optimizer with optional boxing. More...
 
struct  Scine::Molassembler::Temple::Lbfgs< FloatType, ringBufferSize >::OptimizationReturnType
 Type returned from an optimization. More...
 
struct  Scine::Molassembler::Temple::Lbfgs< FloatType, ringBufferSize >::Box
 Type storing boundaries for parameter values. More...
 
struct  Scine::Molassembler::Temple::Lbfgs< FloatType, ringBufferSize >::StepValues
 Class carrying proposed parameter updates in an optimization. More...
 
struct  Scine::Molassembler::Temple::Lbfgs< FloatType, ringBufferSize >::CollectiveRingBuffer
 Class containing hessian information for LBFGS update. More...
 

Namespaces

 Scine::Molassembler
 Central library namespace.
 
 Scine::Molassembler::Temple
 Template shorthands, optimizers and constexpr data types.
 

Detailed Description