Dear all,
Hi everyone,
I’m currently using FAC to compute hydrogen atomic data, and I need to produce two files – a .rp file (radial properties) and a .rc file (rate coefficients) – that are required as input for the PROPACEOS code.
I have consulted the FAC manual and understand the following:
.rp file
This doesn’t seem to be a standard output file from FAC. From an example file I’ve seen, it contains one line per orbital with the following columns:
index, Z, n, l, κ, label, orbital energy, a small correction value, and radial expectation values <1/r²>, <1/r>, , and <r²> (in a.u.).
I can imagine extracting wavefunctions via WaveFuncTable and then integrating numerically to get these moments, but I wonder if there is already a built‑in function or a handy script that does this directly (something like PrintRadial?). Has anyone already written a tool for this?
.rc file
In the FAC source code I found these structures:
typedef struct RC_HEADER {
long int position;
long int length;
int nele;
int ntransitions;
int type, nexc, mexc, ncap;
int nte, nde;
double te0, dte, de0, dde;
} RC_HEADER;
typedef struct RC_RECORD {
int lower;
int upper;
float *rc;
} RC_RECORD;
So FAC internally uses this binary format to store rate coefficient tables (likely for the CRM). However, I haven't found a public function that writes such a file. The crm.RateTable or DumpRates functions seem to output a different format (DB_RT).
Is there any hidden or undocumented function that can produce .rc files in this exact format? Or do I need to compute the rates (e.g., Maxwellian‑averaged collision strengths) myself and then write them out according to this structure?
(P.S. I’m using the latest FAC version from the main branch, and I’m comfortable with both Python (PFAC) and C if I need to modify/extend the code.)
Dear all,
Hi everyone,
I’m currently using FAC to compute hydrogen atomic data, and I need to produce two files – a .rp file (radial properties) and a .rc file (rate coefficients) – that are required as input for the PROPACEOS code.
I have consulted the FAC manual and understand the following:
.rp file
This doesn’t seem to be a standard output file from FAC. From an example file I’ve seen, it contains one line per orbital with the following columns:
index, Z, n, l, κ, label, orbital energy, a small correction value, and radial expectation values <1/r²>, <1/r>, , and <r²> (in a.u.).
I can imagine extracting wavefunctions via WaveFuncTable and then integrating numerically to get these moments, but I wonder if there is already a built‑in function or a handy script that does this directly (something like PrintRadial?). Has anyone already written a tool for this?
.rc file
In the FAC source code I found these structures:
typedef struct RC_HEADER {
long int position;
long int length;
int nele;
int ntransitions;
int type, nexc, mexc, ncap;
int nte, nde;
double te0, dte, de0, dde;
} RC_HEADER;
typedef struct RC_RECORD {
int lower;
int upper;
float *rc;
} RC_RECORD;
So FAC internally uses this binary format to store rate coefficient tables (likely for the CRM). However, I haven't found a public function that writes such a file. The crm.RateTable or DumpRates functions seem to output a different format (DB_RT).
Is there any hidden or undocumented function that can produce .rc files in this exact format? Or do I need to compute the rates (e.g., Maxwellian‑averaged collision strengths) myself and then write them out according to this structure?
(P.S. I’m using the latest FAC version from the main branch, and I’m comfortable with both Python (PFAC) and C if I need to modify/extend the code.)