Derek Mendez

Conda doc

3

Updates to main project readme for help with conda based installation. Also links to examples

use of raise_if_errors()

2

I am not sure how prevalent the ```raise_if_errors``` is in the code base, but it recently got me on a harmless versioning error akin to [this](https://stackoverflow.com/a/156387/2077270). I was trying to...

boost_adaptbx: method `import_ext` causing segmentation fault

4

TLDR; `sys.setdlopenflags(0x100|0x2)` in `import_ext` is causing segfault due to mysterious boost+mpi4py+eigen interactions. This is quite involved, and I have a patch for it, but I would like to get to...

adds option for reduced stills_process logging

2

When running jobs in the terminal, this option suppresses a lot of refinement logging, and provides minimal progress feedback to user.

* raise error if DIFFBRAGG_USE_CUDA and DIFFBRAGG_USE_KOKKOS are both defined * correctly print that kokkos was used (if diffBragg.verbose > 0)

write the diff to disk

1

always leaves a debug trail

reproducer for this: ``` # run a cctbx_project/simtbx test to create a simulated lysozyme image test_full_100.cbf libtbx.python simtbx/nanoBragg/tst_nanoBragg_cbf_write.py # process that image dials.stills_process test_full_100.cbf indexing.known_symmetry.space_group=P43212 refinement_protocol.mode="repredict_only" ``` The error is...

Gauss star gonio

10

This includes two big additions to diffBragg and modeling * the use of a perfectly round RELP called gauss_star that eliminates issues where F_latt varies with symmetry operations * full...