Bonan Zhu
Bonan Zhu
It is possible for a package to depend on more than it needs, for eaxmple, to allow switching backends at run time. One example is the [FFTW.jl](https://github.com/JuliaMath/FFTW.jl). In some cases,...
Sumo modifies the global defaults of the matplotlib. This make undesirable side effects when used inside a notebook environment. For example, the global plotting styles are changed after the first...
sumo warns about the metallic state in some cases. However, a known bug in VASP is that the reported Fermi energy can be incorrect if NUPDOWN is set. See: https://www.vasp.at/forum/viewtopic.php?f=4&t=7442...
Enable compression by default for `verdi storage maintain`. At moment the storage backend (disk-objectstore) has compression configured, but not used by default during the maintainance operation. This is because `pack_all_loose`...
This is a command that I found useful - perhaps it is good to commit it to the core. It can be useful for monitoring the calcjob while they are...
`lpad admin` command, when enterred without any sub-command will give an error like: ```text Traceback (most recent call last): File "/home/bonan/miniconda3/envs/fireworks/bin/lpad", line 11, in load_entry_point('FireWorks', 'console_scripts', 'lpad')() File "/home/bonan/appdir/fireworks/fireworks/scripts/lpad_run.py", line...
When running with python 3.8, the following line will make the interpreter print out syntax warning. ``` /home/bonan/appdir/fireworks/fireworks/features/fw_report.py:146: SyntaxWarning: "is" with a literal. Did you mean "=="? if style is...
Adds implementation of the bands workchain for CASTEP plugin. I made a custom protocol for the oxide work. Make relaxation input generator accepts, checks on the protocol choices should be...
Added a `excluded_packages` keyword to `create_sysimage` which allows certain packages to be unconditionally excluded in the sysimage. Such option can be useful when one want to compile a sysimage for...
Added protocols for using PseudoDojo utf potentials for CASTEP used in the oxide verification project.