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RadCluster
Graph-based cluster dynamics for irradiated materials
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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.
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> ...
| 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.
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.