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GrandCanonicalIO.hh
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1 #ifndef CASM_GrandCanonicalIO_HH
2 #define CASM_GrandCanonicalIO_HH
3 
4 #include <string>
5 
6 namespace CASM {
7 
8  template<typename T, typename U> class GenericDatumFormatter;
9  template<typename T> class DataFormatter;
10  class PrimClex;
11  class jsonParser;
12 
13  class MonteCarlo;
14  typedef const MonteCarlo *ConstMonteCarloPtr;
15  class GrandCanonical;
16  class MonteSettings;
17  class Log;
18  class GrandCanonicalConditions;
19 
21  DataFormatter<ConstMonteCarloPtr> make_results_formatter(const GrandCanonical &mc);
22 
24  DataFormatter<ConstMonteCarloPtr> make_lte_results_formatter(const GrandCanonical &mc, const double &phi_LTE1, const std::string &configname);
25 
26 
28  jsonParser &to_json(const GrandCanonicalConditions &conditions, jsonParser &json);
29 
31  void from_json(GrandCanonicalConditions &conditions, const PrimClex &primclex, const jsonParser &json);
32 
33 
35  GenericDatumFormatter<double, ConstMonteCarloPtr> GrandCanonicalLTEFormatter(const double &phi_LTE1);
36 
38  void write_lte_results(const MonteSettings &settings, const GrandCanonical &mc, const double &phi_LTE1, const std::string &configname, Log &_log);
39 
40 }
41 
42 #endif
void from_json(ClexDescription &desc, const jsonParser &json)
void write_lte_results(const MonteSettings &settings, const GrandCanonical &mc, const double &phi_LTE1, const std::string &configname, Log &_log)
Will create new file or append to existing results file the results of the latest run...
jsonParser & to_json(const ClexDescription &desc, jsonParser &json)
PrimClex * primclex
Definition: settings.cc:101
Main CASM namespace.
Definition: complete.cpp:8
DataFormatter< ConstMonteCarloPtr > make_lte_results_formatter(const GrandCanonical &mc, const double &phi_LTE1, const std::string &configname)
Make a results formatter.
ConfigIO::GenericConfigFormatter< std::string > configname()
Constructs DataFormmaterDictionary containing all Configuration DatumFormatters.
Definition: ConfigIO.cc:340
GenericDatumFormatter< double, ConstMonteCarloPtr > GrandCanonicalLTEFormatter(const double &phi_LTE1)
Print single spin flip LTE.
const MonteCarlo * ConstMonteCarloPtr
const pointer to const MonteCarlo
Definition: CanonicalIO.hh:9
DataFormatter< ConstMonteCarloPtr > make_results_formatter(const GrandCanonical &mc)
Make a LTE results formatter.