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eDebyePDFCalculator with electron scattering factors.

Status: Open.

#42 In diffpy/diffpy.srreal;

· sbillinge opened on Jan 9, 2025

electron-weighted PDF calculator

Status: Open.

#43 In diffpy/diffpy.srreal;

· sbillinge opened on Jan 9, 2025

expose visitor object and methods

Status: Open.

#10 In diffpy/diffpy.srreal;

· pavoljuhas opened on Feb 28, 2018

increased PDFCalculator.rstep gives very different PDF

Status: Open.

#11 In diffpy/diffpy.srreal;

· pavoljuhas opened on Mar 21, 2018

add converter for pymatgen.structure

Status: Open.

#13 In diffpy/diffpy.srreal;

· pavoljuhas opened on May 23, 2018

add converter for gemmi CIF reader

Status: Open.

#14 In diffpy/diffpy.srreal;

· pavoljuhas opened on May 23, 2018

wrap BaseBondGenerator::selectSites

Status: Open.

#17 In diffpy/diffpy.srreal;

· pavoljuhas opened on Mar 7, 2019

deprecate setScatteringFactorTableByType

Status: Open.

#21 In diffpy/diffpy.srreal;

· pavoljuhas opened on Jun 20, 2019

Identical PDF outputs with large Qmax

Status: Open.

#24 In diffpy/diffpy.srreal;

· lanikaling opened on Aug 9, 2021

Unknown atom or ion symbol error

Status: Open.

#27 In diffpy/diffpy.srreal;

· Tieqiong opened on Aug 13, 2024

chore: cherry pick deprecation work from #26

Status: Open.

#63 In diffpy/diffpy.srreal;

· sbillinge opened on Jun 27, 2025

doc: fix package API building to comply with scikit-package 0.1.0 standards

Status: Open.

#62 In diffpy/diffpy.srreal;

· cadenmyers13 opened on Jun 27, 2025