vqmc.f90 File Reference

Go to the source code of this file.

Modules
module	vqmc
	Contains routines for handline random number generation, the main VQMC algorithms and routines for determining ideal parameters.

Functions/Subroutines
subroutine	vqmc::init_ran1 ()
	Initialiser for the random number generator. More...
subroutine	vqmc::ran1 (sample, dseed)
	Implementation of Press et al's random number generator. More...
real(real64) function, dimension(:), allocatable	vqmc::linspace (start, end, num)
	Adaptation of numpy's linspace function. More...
subroutine	vqmc::random_normal (dim, x)
	Draws a sample from a normal distribution using the Box-Muller transform. More...
subroutine	vqmc::vqmc_qho (sigma, N, burn, thin, alpha_const, X_burnt, accept_rate, energy_chain, energy_mean, energy_variance, x_start)
	Performs VQMC for the QHO system. More...
subroutine	vqmc::grid_qho (alpha_array, energies, acc_rates, variances)
	Performs VQMC on an array of values for the variational parameter \( \alpha \). More...
subroutine	vqmc::equil_qho (alpha_array)
	Performs VQMC on an array of values for the variational parameter \( \alpha \), outputting energy traces for each. More...
subroutine	vqmc::vqmc_h_2_plus (sigma, N, burn, thin, c_const, R_a, R_b, X_burnt, accept_rate, energy_chain, energy_mean, energy_variance, DphiDc_chain, x_start)
	Performs VQMC for the \( H_{2}^{+} \) system. More...
subroutine	vqmc::auto_h_2_plus (c_in, bond_length, c_out, energy_out, variance_out, accept_out, converged)
	Automatically finds the best variational parameter \( c \) for the \( H_{2}^{+} \) problem at given bond length. More...
subroutine	vqmc::grid_h_2_plus (c_array, bond_length, c_out, energy_out, variance_out, accept_out)
	Performs a grid search to find the optimal value for the variational parameter \( c \) in the \( H_{2}^{+} \) problem. More...
subroutine	vqmc::equil_h_2_plus (c_array, bond_length, bonds_pos)
	Performs VQMC on an array of values for the variational parameter \( c \), outputting energy traces for each. More...
subroutine	vqmc::vqmc_h_2 (sigma, N, burn, thin, a, beta, R_a, R_b, X_1_burnt, X_2_burnt, accept_rate, energy_chain, energy_mean, energy_variance, DphiDbeta_chain, x_start_1, x_start_2)
	Performs VQMC for the \( H_{2}^{+} \) system. More...
subroutine	vqmc::auto_h_2 (a, beta_in, bond_length, beta_out, energy_out, variance_out, accept_out, converged)
	Automatically finds the best variational parameter \( \beta \) for the \( H_{2}^{+} \) problem at a given bond length. More...
subroutine	vqmc::grid_h_2 (a, beta_array, bond_length, beta_out, energy_out, variance_out, accept_out)
	Performs a grid search to find the optimal value for the variational parameter \( \beta \) in the \( H_{2} \) problem. More...
subroutine	vqmc::equil_h_2 (a, beta_array, bond_length, bonds_pos)
	Performs VQMC on an array of values for the variational parameter \( \beta \), outputting energy traces for each. More...

Variables
integer, parameter	vqmc::ntab = 32
	Variable controlling the RNG sequence. More...
integer(int64), dimension(ntab), save	vqmc::iv = 0
	Variable controlling the RNG sequence. More...
integer(int64), save	vqmc::iy = 0
	Variable controlling the RNG sequence. More...
integer	vqmc::logfrac = 10
	1/logfrac is the fraction of samples to report in the log, if shared_data::write_log is TRUE. More...