bernstei
bernstei
**Summary** If atom initial positions are outside the [0..1] scaled coordinate range, LAMMPS's wrapping can break the symmetry between local and ghost atom pairs, and that makes the neighbor lists's...
I've applied the os_blank_bluray_disable generated mobileconfig (checked out monterey_rev2 tag), and it sets the following xml dict ``` blankbd alert eject ``` However, the test is apparently looking for `blankbd`...
The remediation script which creates the login DOD warning creates creates an _rtfd_ directory, but names it ".rtf". https://github.com/usnistgov/macos_security/blob/06cc0d2614da5b6f478b6f1ff45b059bb7c6aa5a/rules/os/os_policy_banner_loginwindow_enforce.yaml#L22 This appears to be ignored by macOS unless it's actually named...
https://github.com/usnistgov/macos_security/blob/1b03ed4b0d0760e7e1e66893df293859d54fa23f/rules/os/os_burn_support_disable.yaml#L11 I think that the `ProhibitBurn` test should look for the value 1, not 0, and (on my machine at least) the BurnSupport returns `off`, not `"off"`, so the test...
**Describe the bug** `ZSLGenerator` doesn't return some expected mappings between two low symmetry lattices. **To Reproduce** run ``` from pymatgen.analysis.substrate_analyzer import ZSLGenerator # find in-plane supercell lattice pairs that are...
It would be nice if FoX's autoconf stuff was updated to support newer architectures, e.g. aarch64 and ppc64le. I don't really know much about autoconf, but would hope that it's...
The install guide for Rocky 8 warewulf/slurm appears to say that `dnf -y --installroot $CHROOT install epel-release` should just work. However, `wwmkchroot` does not set up the Rocky 8 `extras`...
If there is any documentation on what the various options for `--reducer-type` in the asap command line do, I was unable to find them. Which, if any, are equivalent to...
There is a function that computes atomic descriptors, `compute_atomic_descriptors`, and these are saved in `self.atomic_desc`, but from what I can tell, there is no function that retrieves those (similar to...
It would be great if the python interface had some documentation (as opposed to just the command line)