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Space-group name "R -3 c" in input dictionary causes failure when generating powder diffraction pattern

[scope] bugBug report or fix (major.minor.PATCH)Bug report or fix (major.minor.PATCH)

Status: Open.

#40 In easyscience/deps-pycrysfml;

· AndrewSazonov opened on Nov 18, 2025

Incorrect variable names generated in Wraps_Powder.f90 (extra whitespace in ndarray wrappers)

Status: Open.

#39 In easyscience/deps-pycrysfml;

· AndrewSazonov opened on Nov 4, 2025

Functions for computing nuclear and magnetic structure factors from cif and mcif files

Status: Open.

#38 In easyscience/deps-pycrysfml;

· nebil77 opened on Mar 14, 2025

Write the documentation for cw_powder_pattern_from_dict and tof_powder_pattern_from_dict

Status: Open.

#37 In easyscience/deps-pycrysfml;

· nebil77 opened on Jan 23, 2025

Add support for asymmetry parameters Asy1-Asy4 as defined in the FullProf

Status: Open.

#35 In easyscience/deps-pycrysfml;

· AndrewSazonov opened on Jan 2, 2025

Build failure on macOS 13 (Intel) with gfortran: Static library libCrysFML08.a errors

Status: Open.

#34 In easyscience/deps-pycrysfml;

· AndrewSazonov opened on Jan 2, 2025

Prepare single-crystal data analysis examples for CW and TOF

Status: Open.

#33 In easyscience/deps-pycrysfml;

· AndrewSazonov opened on Jan 2, 2025

Add functional tests to compare PyCrysFML with FullProf calculations

Status: Open.

#32 In easyscience/deps-pycrysfml;

· AndrewSazonov opened on Jan 2, 2025

Random crashes when running CrysFML functional test programs or PyCrysFML functional tests on <code>Windows + ifx</code>

[scope] bugBug report or fix (major.minor.PATCH)Bug report or fix (major.minor.PATCH)

Status: Open.

#23 In easyscience/deps-pycrysfml;

· AndrewSazonov opened on Jul 29, 2024

Missing <code>inlat</code>, <code>nlat</code> and <code>ltr</code> referenced from _cfml_kvec_symmetry_mp_latsym_ in libCrysFML08.a(ksym_auxsub.o) on <code>macOS + ifort</code>

[scope] bugBug report or fix (major.minor.PATCH)Bug report or fix (major.minor.PATCH)

Status: Open.

#22 In easyscience/deps-pycrysfml;

· AndrewSazonov opened on Jul 29, 2024

Hard-coded path to the Python library in the pycrysfml shared object (crysfml08lib.so)

[scope] bugBug report or fix (major.minor.PATCH)Bug report or fix (major.minor.PATCH)

Status: Open.

#21 In easyscience/deps-pycrysfml;

· AndrewSazonov opened on Jul 29, 2024

NAG compiler issues

Status: Open.

#2 In easyscience/deps-pycrysfml;

· rozyczko opened on Mar 8, 2024