hdf5
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Consolidating multiple issues here:
- blacklist BED file with one entry #196
- bg2 file with a header #128
- malformed pairs file #135
- spaces instead of tabs in chromsizes file #124
- other chromsizes weirdness #142
Hi all,
I am trying to substitute a Mg atom with an Al atom.
I tried the following
bulk_structure = pr.create_ase_bulk(metal_name, crystalstructure='hcp', a=a_calc, c=c_calc)
print ('Initial symbols are', bulk_structure.symbols)
bulk_structure.symbols[0] = 'Al'
print ('Updated symbols are', bulk_structure.symbols)
print (bulk_structure[0])
bulk_structure.plot3d()
In
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Sep 2, 2020 - TSQL
A number of functions scattered in GDL's code more or less do the same thing and should be factorized in one place in order to be easily maintained. Especially if these functions use basic system functions that may differ with the system (macOS, unix, MSW..). And, the factorized function should be documented (with Doxygen in mind).
Take the example of strtol() . It is
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Jun 30, 2020 - C++
2) Feature Request
Currently the ordering of dimensions described in the schema is in many cases not listed in the documentation. E.g., for ElectricalSeries.data we should add to the docval that the dimensions are num_time | num_channels. This would help users avoid errors with ordering of dimensions.
This issue was motivated by #960
This issue is in part also related to #626
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Jun 24, 2020 - Jupyter Notebook
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Sep 3, 2020 - Python
Describe the bug
Loading a non-existent particle patch should not segfault but throw (in Python).
Generally, try to derive and document a high-level workflow to deal with particle patches for scripts and frameworks such as ParaView.
To Reproduce
ComputationalRadiationPhysics/particle_reduction#8
Expected behavior
Throw an exception and add simple p
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Hello,
Considering your amazing efficiency on pandas, numpy, and more, it would seem to make sense for your module to work with even bigger data, such as Audio (for example .mp3 and .wav). This is something that would help a lot considering the nature audio (ie. where one of the lowest and most common sampling rates is still 44,100 samples/sec). For a use case, I would consider vaex.open('Hu