CASM
AClustersApproachtoStatisticalMechanics
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#include <MonteSampler.hh>
Sampler for atom fraction.
Definition at line 443 of file MonteSampler.hh.
Public Types | |
typedef Index | size_type |
Public Member Functions | |
AtomFracMonteSampler (size_type _index, size_type _vacancy_index, std::string print_name, double data_confidence, size_type data_initsize) | |
Construct sampler that does not need to converge. More... | |
AtomFracMonteSampler (size_type _index, size_type _vacancy_index, std::string print_name, double data_prec, double data_confidence, size_type data_initsize) | |
Construct sampler that must converge. More... | |
void | sample (const MonteCarlo &mc, const MonteCounter &counter) |
Sample data from a MonteCarlo calculation. More... | |
std::unique_ptr < AtomFracMonteSampler > | clone () const |
Clone this object. More... | |
void | clear () |
Clear all data observations. More... | |
std::pair< bool, size_type > | is_equilibrated () const |
Returns pair(true, equil_steps) if equilibration has occured to required precision. More... | |
bool | must_converge () const |
Returns true if convergence criteria must be met for Monte Carlo calculation to be complete. More... | |
double | requested_precision () const |
Returns requested precision on the mean. More... | |
bool | is_converged (size_type equil_samples) const |
Returns true if convergence criteria have been met for data sampled in range [equil_samples, end) More... | |
double | mean (size_type equil_samples) const |
Returns <X> for data sampled in range [equil_samples, end) More... | |
double | squared_norm (size_type equil_samples) const |
Returns <X*X> for data sampled in range [equil_samples, end) More... | |
double | calculated_precision (size_type equil_samples) const |
Returns calculated precision on the mean for data sampled in range [equil_samples, end) More... | |
const MCData & | data () const |
const Access the raw data observation container More... | |
std::string | name () const |
Property name for printing. More... | |
Protected Member Functions | |
MCData & | data () |
Access the raw data observation container. More... | |
Private Member Functions | |
virtual AtomFracMonteSampler * | _clone () const |
Private Attributes | |
size_type | m_index |
size_type | m_vacancy_index |
Definition at line 447 of file MonteSampler.hh.
CASM::AtomFracMonteSampler::AtomFracMonteSampler | ( | size_type | _index, |
size_type | _vacancy_index, | ||
std::string | print_name, | ||
double | data_confidence, | ||
size_type | data_initsize | ||
) |
Construct sampler that does not need to converge.
_index | param composition index to sample, ex: 0 -> 'a', 1 -> 'b' |
_vacancy_index | index of vacancies in comp_n |
print_name | Name to be printed, ex: "atom_frac(Zr)" |
data_initsize | For constructing MCData object |
Definition at line 268 of file MonteSampler.cc.
CASM::AtomFracMonteSampler::AtomFracMonteSampler | ( | size_type | _index, |
size_type | _vacancy_index, | ||
std::string | print_name, | ||
double | data_prec, | ||
double | data_confidence, | ||
size_type | data_initsize | ||
) |
Construct sampler that must converge.
_index | param composition index to sample, ex: 0 -> 'a', 1 -> 'b' |
_vacancy_index | index of vacancies in comp_n |
print_name | Name to be printed, ex: "atom_frac(Zr)" |
data_prec | Required precision level |
data_confidence | Required confidence level |
data_initsize | For constructing MCData object |
Definition at line 286 of file MonteSampler.cc.
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inlineprivatevirtual |
Reimplemented from CASM::MonteSampler.
Definition at line 475 of file MonteSampler.hh.
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inlineinherited |
Returns calculated precision on the mean for data sampled in range [equil_samples, end)
Definition at line 119 of file MonteSampler.hh.
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inlineinherited |
Clear all data observations.
Definition at line 47 of file MonteSampler.hh.
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inline |
Clone this object.
Definition at line 469 of file MonteSampler.hh.
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inlineinherited |
const Access the raw data observation container
Definition at line 130 of file MonteSampler.hh.
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inlineprotectedinherited |
Access the raw data observation container.
Definition at line 148 of file MonteSampler.hh.
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inlineinherited |
Returns true if convergence criteria have been met for data sampled in range [equil_samples, end)
Definition at line 82 of file MonteSampler.hh.
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inlineinherited |
Returns pair(true, equil_steps) if equilibration has occured to required precision.
Definition at line 55 of file MonteSampler.hh.
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inlineinherited |
Returns <X> for data sampled in range [equil_samples, end)
Definition at line 97 of file MonteSampler.hh.
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inlineinherited |
Returns true if convergence criteria must be met for Monte Carlo calculation to be complete.
Definition at line 70 of file MonteSampler.hh.
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inlineinherited |
Property name for printing.
Definition at line 135 of file MonteSampler.hh.
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inlineinherited |
Returns requested precision on the mean.
Definition at line 75 of file MonteSampler.hh.
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virtual |
Sample data from a MonteCarlo calculation.
Reimplemented from CASM::MonteSampler.
Definition at line 298 of file MonteSampler.cc.
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inlineinherited |
Returns <X*X> for data sampled in range [equil_samples, end)
Definition at line 108 of file MonteSampler.hh.
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private |
Definition at line 479 of file MonteSampler.hh.
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private |
Definition at line 481 of file MonteSampler.hh.