dice_defaults.py File Reference

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Namespaces
	repo.DicePy.dice_defaults
	DicePy.dice_defaults
	Contains default values for input parameters of Dice QMC.

Variables
list	repo.DicePy.dice_defaults.systems = ['QHO','H2plus','H2','test']
list	repo.DicePy.dice_defaults.boolean = [True,False]
string	repo.DicePy.dice_defaults.d_equi = '.FALSE.'
string	repo.DicePy.dice_defaults.d_rres = '.FALSE.'
string	repo.DicePy.dice_defaults.d_wres = '.FALSE.'
list	repo.DicePy.dice_defaults.d_rnum = [1, 1, 1]
string	repo.DicePy.dice_defaults.d_chn = '.FALSE'
string	repo.DicePy.dice_defaults.d_log = '.FALSE.'
list	repo.DicePy.dice_defaults.d_equi_steps = [100000,100000,100000]
list	repo.DicePy.dice_defaults.d_vqmc_steps = [100000,100000,100000]
list	repo.DicePy.dice_defaults.d_bstep = [3000,5000,4000]
list	repo.DicePy.dice_defaults.d_tstep = [10,20,40]
list	repo.DicePy.dice_defaults.d_sigma = [5.5,1.8,0.8]
list	repo.DicePy.dice_defaults.d_rcut = [3.0,3.0,3.0]
list	repo.DicePy.dice_defaults.d_alpha = [0.1,1.0,10.0]
string	repo.DicePy.dice_defaults.d_auto_h2plus = '.FALSE.'
int	repo.DicePy.dice_defaults.d_c_fdstep = 1E-3
int	repo.DicePy.dice_defaults.d_ham_fdstep = 1E-3
float	repo.DicePy.dice_defaults.d_c = 0.7
list	repo.DicePy.dice_defaults.d_c_grid = [0,1,10]
list	repo.DicePy.dice_defaults.d_bond_h2plus = [1,3,10]
string	repo.DicePy.dice_defaults.d_auto_h2 = '.FALSE.'
float	repo.DicePy.dice_defaults.d_beta = 0.4
list	repo.DicePy.dice_defaults.d_beta_grid = [0,1,10]
list	repo.DicePy.dice_defaults.d_bond_h2 = [1,3,10]
list	repo.DicePy.dice_defaults.corder = ['p_system','run_equil','run_restart','write_restart','restart_step','write_chains','write_log']
	Order of CONTROL tags. More...
list	repo.DicePy.dice_defaults.porder_qho = ['steps','burn_step','thin_step','rcut','sigma','alpha']
	Order of PARAMETERS tags for QHO. More...
list	repo.DicePy.dice_defaults.porder_h2plus = ['steps','burn_step','thin_step','rcut','sigma','auto_params','ham_fdstep','c_fdstep','c','c_grid','bond']
	Order of PARAMETERS tags for H2plus. More...