#-------------------#
# CASINO input file #
#-------------------#

# Ne molecule (ground state)

# SYSTEM
neu               : 5              #*! Number of up electrons (Integer)
ned               : 5              #*! Number of down electrons (Integer)
periodic          : F              #*! Periodic boundary conditions (Boolean)
atom_basis_type   : gaussian       #*! Basis set type (text)
psi_s             : geminal        #*! Type of [anti]symmetrizing wfn (Text)

# RUN
runtype           : vmc_dmc        #*! Type of calculation (Text)
newrun            : T              #*! New run or continue old (Boolean)
testrun           : F              #*! Test run flag (Boolean)
random_seed       : standard       #*! Random seed (Text)

# VMC
vmc_method        : 1              #*! Configuration-by-configuration algorithm
vmc_equil_nstep   : 5000           #*! Number of equilibration steps (Integer)
vmc_nstep         : 256            #*! Number of steps (Integer)
vmc_nblock        : 1              #*! Number of checkpoints (Integer)
vmc_nconfig_write : 256            #*! Number of configs to write (Integer)
vmc_decorr_period : 1              #*! VMC decorrelation period (0 - auto)

# DMC
dmc_method        : 2              #*! Configuration-by-configuration algorithm
dmc_equil_nstep   : 500            #*! Number of steps (Integer)
dmc_equil_nblock  : 1              #*! Number of checkpoints (Integer)
dmc_stats_nstep   : 2000           #*! Number of steps (Integer)
dmc_stats_nblock  : 5              #*! Number of checkpoints (Integer)
dmc_target_weight : 256.0          #*! Total target weight in DMC (Real)
dtdmc             : 0.003333       #*! DMC time step (Real)
use_tmove         : F              #*! Casula nl pp for DMC (Boolean)
popstats          : T              #*! Collect population statistics (Boolean)

# GENERAL PARAMETERS
use_jastrow       : T              #*! Use a Jastrow function (Boolean)
