MADNESS 0.10.1
Classes | Namespaces | Enumerations | Functions
Restart.h File Reference

the header of a restartdata archive, in one place More...

#include <madness/chem/molecule.h>
#include <madness/mra/mra.h>
#include <iomanip>
#include <optional>
#include <string>
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Classes

struct  madness::RestartMetadata
 
struct  madness::RestartSummary
 

Namespaces

namespace  madness
 Namespace for all elements and tools of MADNESS.
 

Enumerations

enum class  madness::Representation : int { madness::unknown = 0 , madness::mo = 1 , madness::nemo = 2 , madness::znemo = 3 }
 

Functions

std::optional< RestartMetadatamadness::peek_restartdata (World &world, const std::string &filename)
 
std::optional< RestartSummarymadness::peek_restartdata_summary (World &world, const std::string &filename)
 
bool madness::print_restartdata_info (World &world, const std::string &prefix)
 
Representation madness::representation_from_int (const int i)
 map a stored int back to a Representation, tolerating values we do not know
 
std::string madness::restartdata_basename (std::string name)
 
bool madness::restartdata_exists (const std::string &filename)
 
std::string madness::to_string (const Representation r)
 

Detailed Description

the header of a restartdata archive, in one place