diff options
| author | Thomas White <taw@physics.org> | 2018-02-27 15:14:26 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2018-02-27 17:12:42 +0100 |
| commit | 1ebf2772e92a4f9344f9dca456abf8c30be731d2 (patch) | |
| tree | 88bfd466928befb51b818736b1e41e0e5e1623f1 /src/post-refinement.c | |
| parent | 5a8c9a183d2412c7bfda942dda56b2561bc67edb (diff) | |
Write spectra and grid scans after every iteration, and also before the first and at end
Also, do it in parallel.
Diffstat (limited to 'src/post-refinement.c')
| -rw-r--r-- | src/post-refinement.c | 8 |
1 files changed, 5 insertions, 3 deletions
diff --git a/src/post-refinement.c b/src/post-refinement.c index 68f72bf2..b2fbb537 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -709,9 +709,6 @@ static void do_pr_refine(Crystal *cr, const RefList *full, char fn[64]; - write_gridscan(cr, full, cycle, serial); - write_specgraph(cr, full, cycle, serial); - snprintf(fn, 63, "pr-logs/crystal%i-cycle%i.log", serial, cycle); fh = fopen(fn, "w"); if ( fh != NULL ) { @@ -830,6 +827,11 @@ static void do_pr_refine(Crystal *cr, const RefList *full, ERROR("Bad refinement: crystal %i\n", serial); } + if ( write_logs ) { + write_gridscan(cr, full, cycle, serial); + write_specgraph(cr, full, cycle, serial); + } + gsl_multimin_fminimizer_free(min); gsl_vector_free(priv.initial); gsl_vector_free(priv.vals); |