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Applying in sequence two spin_sop operations gives a different result w.r.t. applying the spin_sop operation extracted from sop_tab, e.g. the table which constructs the map of composed symmetry operat…
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Previously my thinking has been that tree sharing should be the default over undecoration in most cases, and that most cases where undecoration is needed can be avoided by data nonterminals/nondecorat…
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Analysis of current clamp data with PSX results in deconvolution traces that surpass reasonable detection thresholds but are not associated with actual synaptic events. A feature of these false positi…
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I think there are a couple of the Demos that I have duplicated/ better explained with the Examples added to pyxem. Also keeping the Demos up to date is a little difficult as they take a long time to …
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**Description**
Running the "half spherical shell" benchmark I am getting very bad results for an acceptable mesh. With a 8x8 mesh in a 1/8 sphere, I am getting half the expected displacements, but a…
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Dear All,
I train ALIGNN with cif files. To improve the performance, I tried to augment my cif files with AugLiChem library. Here is the snippet from the original file and the augmented cif file:
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from reviewer: "The analysis does not make a difference whether the transitions are towards a lower or higher rank. For instance, symmetry in the diplomatic relations between two countries can be caus…
davcl updated
3 years ago
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Update 07/02/2020:
I have manually looked through all the data sets focusing on the Cluster 6 and 15 pockets and couldn’t see anything bound in these sites.
We are currently dealing with some chall…
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There are several extensions of "B-series for Runge-Kutta methods" that could also be implemented in this package:
- [ ] P-series for partitioned methods (see HNW II.15) and NB-series for additive …
ketch updated
2 months ago
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Every time a grid function is synchronised, this is most likely done because boundary points are undefined. Synchronising along doesn't fill outer boundaries and symmetry boundaries, and thus the Cact…