fcimc_output Module


Uses


Functions

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

For a given value, get the position in a histogram of given window sizes

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: val

value to get the position
real(kind=dp), intent(in) :: minVal

value to get the position smallest value appearing in the histogram
integer, intent(in) :: nPoints

number of bins in the histogram
real(kind=dp), intent(in) :: windowSize

value to get the position smallest value appearing in the histogram size of each bin

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

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: filename

name of the file to write to
character(len=*), intent(in) :: label1

name of the file to write to label of the first axis
character(len=*), intent(in) :: label2

name of the file to write to label of the first axis label of the second axis
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

Arguments

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

resolution of the energy axis (number of bins)
integer, intent(in) :: FValBinsNum

resolution of the energy axis (number of bins) resolution of the factor axis (number of bins)

public subroutine print_fval_pop_hist(PopBinsNum, FValBinsNum)

Wrapper function to create a 2d-histogram of the shift scale factors over population

Arguments

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

resolution of the population axis (number of bins)
integer, intent(in) :: FValBinsNum

resolution of the population axis (number of bins) resolution of the factor axis (number of bins)

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.

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

number of bins on the energy axis
integer, intent(in) :: accRatePoints

number of bins on the energy axis number of bins on the shift factor axis
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.

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

number of bins on the population axis
integer, intent(in) :: accRatePoints

number of bins on the population axis number of bins on the shift factor axis
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