fcimc_output Module


Uses


Contents

Functions

Subroutines


Functions

public function getHistIndex(val, minVal, nPoints, windowSize) result(ind)

For a given value, get the position in a histogram of given window sizes @param[in] val value to get the position @param[in] minVal smallest value appearing in the histogram @param[in] nPoints number of bins in the histogram @param[in] windowSize size of each bin @return ind index of val in the histogram

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: val
real(kind=dp), intent(in) :: minVal
integer, intent(in) :: nPoints
real(kind=dp), intent(in) :: windowSize

Return Value integer


Subroutines

public subroutine WriteFciMCStatsHeader()

Arguments

None

public subroutine WriteFCIMCStats()

Arguments

None

public subroutine open_create_stats(stem, funit)

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: stem
integer, intent(in) :: funit

public subroutine write_fcimcstats2(iter_data, initial)

Arguments

Type IntentOptional Attributes Name
type(fcimc_iter_data), intent(in) :: iter_data
logical, intent(in), optional :: initial

public subroutine open_state_file(filename, state)

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
type(write_state_t), intent(inout) :: state

public subroutine write_padding_init(state)

Arguments

Type IntentOptional Attributes Name
type(write_state_t), intent(inout) :: state

public subroutine PrintFCIMCPsi()

Arguments

None

public subroutine WriteHistogram()

Arguments

None

public subroutine WriteHistogramEnergies()

Arguments

None

public subroutine PrintHighPops()

Arguments

None

public subroutine print_2d_hist(filename, label1, label2, hist, bins1, bins2)

Print out an already genereated 2d-histogram to disk The histogram is written with the two axes as first rows, then the data as a 2d-matrix @param[in] filename name of the file to write to @param[in] label1 label of the first axis @param[in] label2 label of the second axis @param[in] hists array of integers containing the histogram data for each pair of bins @param[in] bins1 bins of the first axis @param[in] bins2 bins of the second axis

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename
character(len=*), intent(in) :: label1
character(len=*), intent(in) :: label2
integer, intent(in) :: hist(:,:)
real(kind=dp), intent(in) :: bins1(:)
real(kind=dp), intent(in) :: bins2(:)

public subroutine print_fval_energy_hist(EnergyBinsNum, FValBinsNum)

Wrapper function to create a 2d-histogram of the shift scale factors over energy @param[in] EnergyBinsNum resolution of the energy axis (number of bins) @param[in] FValBinsNum resolution of the factor axis (number of bins)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: EnergyBinsNum
integer, intent(in) :: FValBinsNum

public subroutine print_fval_pop_hist(PopBinsNum, FValBinsNum)

Wrapper function to create a 2d-histogram of the shift scale factors over population @param[in] PopBinsNum resolution of the population axis (number of bins) @param[in] FValBinsNum resolution of the factor axis (number of bins)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: PopBinsNum
integer, intent(in) :: FValBinsNum

public subroutine generate_fval_energy_hist(hist, histEnergy, histAccRate, enPoints, accRatePoints, allHist)

Create the data written out in the histogram of shift factor over energy. The generated data can be passed to print_2d_hist. This is a synchronizing routine. @param[out] hist on return, histogram data of this proc only @param[out] histEnergy on return, energy axis of the histogram @param[out] histAccRate on return, shift factor axis of the histogram @param[in] enPoints number of bins on the energy axis @param[in] accRatePoints number of bins on the shift factor axis @param[out] allHist on return, histogram data over all procs

Arguments

Type IntentOptional Attributes Name
integer, intent(out) :: hist(enPoints,accRatePoints)
real(kind=dp), intent(out) :: histEnergy(enPoints)
real(kind=dp), intent(out) :: histAccRate(accRatePoints)
integer, intent(in) :: enPoints
integer, intent(in) :: accRatePoints
integer, intent(out) :: allHist(:,:)

public subroutine generate_fval_pop_hist(hist, histPop, histAccRate, popPoints, accRatePoints, allHist)

Create the data written out in the histogram of shift factor over population. The generated data can be passed to print_2d_hist. This is a synchronizing routine. @param[out] hist on return, histogram data of this proc only @param[out] histPop on return, population axis of the histogram @param[out] histAccRate on return, shift factor axis of the histogram @param[in] popPoints number of bins on the population axis @param[in] accRatePoints number of bins on the shift factor axis @param[out] allHist on return, histogram data over all procs

Arguments

Type IntentOptional Attributes Name
integer, intent(out) :: hist(popPoints,accRatePoints)
real(kind=dp), intent(out) :: histPop(popPoints)
real(kind=dp), intent(out) :: histAccRate(accRatePoints)
integer, intent(in) :: popPoints
integer, intent(in) :: accRatePoints
integer, intent(out) :: allHist(:,:)

public subroutine end_iteration_print_warn(totWalkersNew)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: totWalkersNew

public subroutine getProjEOffset()

Arguments

None