CASM  1.1.0
A Clusters Approach to Statistical Mechanics
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 template <typename T, typename U>
8 class GenericDatumFormatter;
9 template <typename T>
10 class DataFormatter;
11 class PrimClex;
12 class jsonParser;
13 class Log;
14 } // namespace CASM
15 
16 namespace CASM {
17 namespace Monte {
18 
19 class MonteCarlo;
20 typedef const MonteCarlo *ConstMonteCarloPtr;
21 class GrandCanonical;
22 class Settings;
23 class GrandCanonicalConditions;
24 class MonteSettings;
25 
27 DataFormatter<ConstMonteCarloPtr> make_results_formatter(
28  const GrandCanonical &mc);
29 
31 DataFormatter<ConstMonteCarloPtr> make_lte_results_formatter(
32  const GrandCanonical &mc, const double &phi_LTE1,
33  const std::string &configname);
34 
36 jsonParser &to_json(const GrandCanonicalConditions &conditions,
37  jsonParser &json);
38 
40 void from_json(GrandCanonicalConditions &conditions, const PrimClex &primclex,
41  const jsonParser &json);
42 
44 GenericDatumFormatter<double, ConstMonteCarloPtr> GrandCanonicalLTEFormatter(
45  const double &phi_LTE1);
46 
49 void write_lte_results(const MonteSettings &settings, const GrandCanonical &mc,
50  const double &phi_LTE1, const std::string &configname,
51  Log &_log);
52 
53 } // namespace Monte
54 } // namespace CASM
55 
56 #endif
ConfigIO::GenericConfigFormatter< std::string > configname()
Constructs DataFormmaterDictionary containing all Configuration DatumFormatters.
Definition: ConfigIO.cc:563
void from_json(CanonicalConditions &conditions, const PrimClex &primclex, const jsonParser &json)
Read CanonicalConditions from JSON format.
Definition: CanonicalIO.cc:137
const MonteCarlo * ConstMonteCarloPtr
const pointer to const MonteCarlo
Definition: CanonicalIO.hh:14
DataFormatter< ConstMonteCarloPtr > make_lte_results_formatter(const GrandCanonical &mc, const double &phi_LTE1, const std::string &configname)
Make a results formatter.
jsonParser & to_json(const CanonicalConditions &conditions, jsonParser &json)
Store CanonicalConditions in JSON format.
Definition: CanonicalIO.cc:102
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.
DataFormatter< ConstMonteCarloPtr > make_results_formatter(const Canonical &mc)
Make a LTE results formatter.
Definition: CanonicalIO.cc:31
GenericDatumFormatter< double, ConstMonteCarloPtr > GrandCanonicalLTEFormatter(const double &phi_LTE1)
Print single spin flip LTE.
Main CASM namespace.
Definition: APICommand.hh:8
PrimClex * primclex
Definition: settings.cc:135