RadCluster
Graph-based cluster dynamics for irradiated materials
Loading...
Searching...
No Matches
Solver parameter file

The solver reads all its input from one text file. The Python bridge writes the file with write_param_file() and starts the solver as:

solver --param_file=<path>

The executable is named solver.exe on Windows. The function build_parameters() in radcluster_code/cpp_utils/core/parameters.h reads the file into the struct Parameters. After that, the right-hand side performs only arithmetic.

Format

The file has one entry per line, of the form:

key=value

An array is written as indexed entries:

KVV_0=<value>
KVV_1=<value>
...

Groups of keys

Group Examples
cluster size limits I, V
solver mode and physics option window_mode, physics_option_int, he_mode
geometric prefactors A_sph, A_loop, B_rot, L_hat
mobility cut-offs i_mobile, v_mobile
vacancy rate arrays KVV_k, KVI_k, GVV_k, KHeV_k, Pr_VAC_k
SIA rate arrays KII_k, KIV_k, GII_k, k2_SIA_k, Pr_SIA_k, K_1D_pref_k
loop conversion loop_conversion, n_loop_min, Gamma_uni_k, K_100_grow_k
bin moments I_bin, V_bin, i_discrete, v_discrete, r_ratio, shape_function
initial condition y0_k
integration t_begin, t_end, n_points, log_time, rtol, atol, hmin, hmax, max_order
linear solver linsol, mu, ml, prec_type, prec_bw, prec_rank
sliding window window_width, window_pad, window_pad_v, window_check_every

In window_mode the value 0 is full_system and the value 4 is active_window. In physics_option_int the values 0 to 3 are full_CD_fission, full_CD_fusion, bin_moment_CD_fission and bin_moment_CD_fusion.

The key sia_emission_monomer selects whether the monomer of an SIA thermal emission is returned to the monomer pool (1) or dropped (0). The value 0 reproduces results obtained before version 2.1.2.

Output

The solver writes n_points rows of (1 + N_eq) values as raw float64 numbers to a companion file with the extension .bin. Each row holds the time and the state vector (see State layout). The file is flushed after every row, so that a partial output survives an interrupt.

Note that the parameter file is an internal interface between the Python layer and the solver. Physics parameters belong in the input workbook. See Input workbook.

See also
Output directory