Vincent Favre-Nicolin

Intel HD graphics issues (C2C launch failure and R2C calculation issue)

2

Hi @DTolm, as promised here is a report on issues with Intel HD graphics. This can be due to issues on the Intel GPUs (which are used for display as...

Python interface to VkFFT

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This is not an issue, but rather to reference a python interface to VkFFT (using the cuda backend and pycuda) which is now available from https://github.com/vincefn/pyvkfft It supports C2C, R2C,...

CUDA 11 error (invalid resource handle) after destroying FFT plan & using a new one

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## Problem I have found an issue when using CUDA 11.1, where creating a FFT plan, using it and doing another operation (simple sum reduction), then deleting the plan, re-creating...

Real->complex and complex->real

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I have a question regarding complexreal plans. You can create a realcomplex plans using: ```# Real->Complex and Complex->Real out-of-place transform ny, nx = 256, 280 nx2 = nx //2 +...

Add an Undo feature in Fox GUI. This could be implemented by saving regularly all objects in XML form and keeping them in memory. This could exploit WXValidateAllUserInput() as a...

In some cases, the wavelength is not correctly read during FindPeaks. To be tested: 1) open powder pattern graph 2) change wavelength 3) search peaks if Powder pattern update is...

Rigid bodies are not rigid when using least squares

1

Probably complicated to implement: would require a pure rigid-body modelling. Alternatively, use high restraints or least squares constraints... Check relation with MD ?

Example: Li2B4O7 using the automatically found max(sin(theta)/lambda)

Add Fundamental parameters approach for reflection profiles. Would be a lot of work, probably long computation times. Relevant litterature/code: - J. Appl. Cryst. (1998). 31, 851-861 https://doi.org/10.1107/S0021889898006876 - J Res...