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

# moldule (Gaussian basis)

# SYSTEM
neu                 : 10             #*! Number of up electrons (Integer)
ned                 : 10             #*! Number of down electrons (Integer)
periodic            : F              #*! Periodic boundary conditions (Boolean)
atom_basis_type     : gaussian       #*! Basis set type (text)

# RUN
runtype             : vmc_opt        #*! Type of calculation (Text)
newrun              : T              #*! New run or continue old (Boolean)
testrun             : F              #*! Test run flag (Boolean)
block_time          : 0.0 s          #*! VMC/DMC block time (Physical)

# VMC
vmc_equil_nstep     : 6000           #*! Number of equilibration steps (Integer)
vmc_nstep           : 2000000        #*! Number of steps (Integer)
vmc_nblock          : 10             #*! Number of checkpoints (Integer)
vmc_nconfig_write   : 20000          #*! Number of configs to write (Integer)
psi_s               : slater         #*! Type of [anti]symmetrizing wfn (Text)
complex_wf          : F              #*! Wave function real or complex (Boolean)

# DMC
dmc_equil_nstep     : 2000           #*! Number of steps (Integer)
dmc_equil_nblock    : 1              #*! Number of checkpoints (Integer)
dmc_stats_nstep     : 10000          #*! Number of steps (Integer)
dmc_stats_nblock    : 1              #*! Number of checkpoints (Integer)
dmc_target_weight   : 1000.0         #*! Total target weight in DMC (Real)
dtdmc               : 0.002          #*! DMC time step (Real)
use_tmove           : F              #*! Casula nl pp for DMC (Boolean)

# RMC

# OPTIMIZATION
opt_method          : varmin         #*! Opt method (varmin/madmin/emin/...)
opt_cycles          : 10              #*! Number of optimization cycles (Integer)
opt_jastrow         : T              #*! Optimize Jastrow factor (Boolean)
opt_det_coeff       : T              #*! Optimize determinant coeffs (Boolean)
opt_backflow        : F              #*! Optimize backflow parameters (Boolean)
opt_orbitals        : F              #*! Optimize orbital parameters (Boolean)

# GENERAL PARAMETERS
use_jastrow         : T              #*! Use a Jastrow function (Boolean)
backflow            : F              #*! Use backflow corrections (Boolean)
expot               : F              #*! Use external potential (Boolean)
timing_info         : F              #*! Activate subroutine timers (Boolean)
esupercell          : F              #*! Energy/supercell in output (Boolean)
neighprint          : 0              #*! Neighbour analysis (Integer)
mpc_cutoff          : 30.d0 hartree  #*! G vector cutoff for MPC (Physical)
forces              : F              #*! Evaluate forces on atoms (Boolean)
ranluxlevel         : 4              
checkpoint          : 1              #*! Checkpoint level (Integer)

# EXPECTATION VALUE
density             : F              #*! Accumulate density (Boolean)
spin_density        : F              #*! Accumulate spin densities (Boolean)
pair_corr           : F              #*! Accumulate rec. space PCF (Boolean)
pair_corr_sph       : F              #*! Accumulate sph. real space PCF (Boolean)
loc_tensor          : F              #*! Accumulate localization tensor (Boolean)
structure_factor    : F              #*! Accumulate structure factor (Boolean)
struc_factor_sph    : F              #*! Accumulate sph. struc. factor (Boolean)
onep_density_mat    : F              #*! Accumulate 1p density matrix (Boolean)
twop_density_mat    : F              #*! Accumulate 2p density matrix (Boolean)
cond_fraction       : F              #*! Accumulate cond fraction (Boolean)
dipole_moment       : F              #*! Accumulate elec. dipole moment (Boolean)
expval_cutoff       : 30.d0 hartree  #*! G vector cutoff for expval (Physical)
permit_den_symm     : F              #*! Symmetrize QMC charge data (Boolean)
qmc_density_mpc     : F              #*! Use QMC density in MPC int (Boolean)

# BLOCK INPUT
