diffpy/pyobjcryst issues and pull requests

#42 - SetIobs

Issue - State: closed - Opened by ji-ze 3 months ago - 2 comments

#41 - After using RemoveScatterer, the catalogue of athoms doesn't update

Issue - State: closed - Opened by ji-ze 4 months ago - 13 comments
Labels: bug

#40 - Support for Python 3.7

Issue - State: closed - Opened by Sparks29032 10 months ago - 13 comments

#39 - Molecule::AsZMatrix crashes with empty connectivity table + MolZAtom python conversion missing

Issue - State: closed - Opened by vincefn 10 months ago - 1 comment

#38 - Add access to the linear polarisation rate

Issue - State: open - Opened by vincefn over 1 year ago - 2 comments
Labels: enhancement

#37 - 2.2.5 fails to build: class ObjCryst::UnitCell’ has no member named ‘ChangeSpaceGroup’

Issue - State: closed - Opened by stefanor almost 2 years ago - 2 comments

#36 - Lattice parameters are not updated when spacegroup is changed

Issue - State: closed - Opened by vincefn about 2 years ago - 1 comment

#35 - test_peaklist_index can fail

Issue - State: closed - Opened by vincefn about 2 years ago

#34 - Update build for macOS, add windows

Pull Request - State: closed - Opened by vincefn about 2 years ago

#33 - python>=3.8 dll import fail under windows

Issue - State: closed - Opened by vincefn about 2 years ago - 3 comments

#32 - Powder pattern calculation is not updated when the spacegroup is changed

Issue - State: closed - Opened by vincefn about 2 years ago - 1 comment
Labels: enhancement

#31 - pyobjcryst.radiation

Issue - State: closed - Opened by MarcoVando over 2 years ago - 15 comments

#30 - Error after installation of v2.2.X

Issue - State: closed - Opened by SanderBorgmans almost 3 years ago - 6 comments

#29 - Update sphinx documentation html pages

Pull Request - State: closed - Opened by vincefn almost 3 years ago

#28 - Merge doc changes + small issue with polyhedra

Pull Request - State: closed - Opened by vincefn almost 3 years ago - 1 comment

#27 - Molecule and Crystal unit tests: always add the scattering power to the Crystal before the scatterer

Pull Request - State: closed - Opened by vincefn almost 3 years ago

#26 - Update pyobjcryst: add QPA example, add notebooks to doc...

Pull Request - State: closed - Opened by vincefn almost 3 years ago - 14 comments

#25 - Update pyobjcryst

Pull Request - State: closed - Opened by vincefn over 3 years ago - 1 comment

#24 - Add access to Radiation class & enable changing wavelength, radiation type

Pull Request - State: closed - Opened by vincefn over 4 years ago - 36 comments

#23 - Enable sconst build when python bin is a symlink and python-config not in the same dir

Pull Request - State: closed - Opened by vincefn over 4 years ago - 1 comment

#22 - Fix spacegroup crash

Pull Request - State: closed - Opened by pavoljuhas over 5 years ago - 1 comment

#21 - fix Molecule.GetAtom and FindAtom

Pull Request - State: closed - Opened by pavoljuhas over 5 years ago - 2 comments

#20 - raise ValueError when Crystal angles are in degrees

Issue - State: closed - Opened by pavoljuhas over 5 years ago

#19 - ENH: avoid segfault when muted function throws

Pull Request - State: closed - Opened by pavoljuhas over 5 years ago - 1 comment

#18 - hard crash on invalid SpaceGroup

Issue - State: closed - Opened by pavoljuhas over 6 years ago - 1 comment

#17 - add helper class for redirecting fpObjCrystInformUser

Issue - State: closed - Opened by pavoljuhas almost 7 years ago

#16 - Expose methods for setting and getting RadiationType

Issue - State: closed - Opened by pavoljuhas about 7 years ago

#15 - fix argument conversion in PowerPattern.SetPowderPatternX

Issue - State: closed - Opened by pavoljuhas about 7 years ago - 1 comment

#14 - extend loadCrystal

Issue - State: closed - Opened by pavoljuhas over 7 years ago

#13 - implement equality operator for wrapped classes

Issue - State: open - Opened by pavoljuhas over 7 years ago

#12 - add support for python3

Pull Request - State: closed - Opened by pavoljuhas over 7 years ago - 1 comment

#11 - Use numpy api 1.7

Pull Request - State: closed - Opened by pavoljuhas over 7 years ago - 3 comments

#10 - convert first extension module to Python 3

Issue - State: closed - Opened by pavoljuhas over 7 years ago

#9 - add micro field to libobjcryst_version_info

Issue - State: closed - Opened by pavoljuhas almost 9 years ago

#8 - add loadCIF or loadCrystal function

Issue - State: closed - Opened by pavoljuhas almost 9 years ago

#7 - Add to PyPi package index and update README.rst with easy_install instructions.

Issue - State: closed - Opened by kevinrknox over 10 years ago - 1 comment

#6 - update License.txt

Issue - State: closed - Opened by XiaohaoYang almost 11 years ago

#5 - remove devutils directory

Issue - State: closed - Opened by XiaohaoYang almost 11 years ago - 2 comments
Labels: enhancement

#4 - libObjCryst

Issue - State: closed - Opened by XiaohaoYang almost 11 years ago - 3 comments
Labels: enhancement

#3 - update setup.py

Issue - State: closed - Opened by XiaohaoYang almost 11 years ago - 1 comment
Labels: enhancement

#2 - API document page

Issue - State: closed - Opened by XiaohaoYang almost 11 years ago - 3 comments
Labels: enhancement

#1 - TODO List

Issue - State: closed - Opened by XiaohaoYang almost 11 years ago - 2 comments
Labels: enhancement

GitHub / diffpy/pyobjcryst issues and pull requests