Kurt Irvin Rojas kimrojas

## plot-workfunc.py
#!/usr/bin/env python3
'''
A script to plot work function using LOCPOT.
Requirement: python3, numpy, matplotlib, ase
Author: @Ionizing
Date: 22:46, Jan 11th, 2021.

CHANGELOG:
    - 1:56, Jan 25th, 2021
        - Add E-fermi level correction

## Set up GitHub push with SSH keys.md

      
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                kimrojas
                / Set up GitHub push with SSH keys.md
            
            
              Created
              November 16, 2022 23:18
                — forked from xirixiz/Set up GitHub push with SSH keys.md
            
              
                Set up GitHub push with SSH keys
              
          
    SSH keypair setup for GitHub (or GitHub/GitLab/BitBucket, etc, etc)

Create a repo.

Make sure there is at least one file in it (even just the README.md)
Generate a SSH key pair (private/public):

ssh-keygen -t rsa -C "your_email@example.com"


## read_projwfc.py
import pandas as pd

test_file = 'name_of_test_file.csv'
df = pd.read_csv(test_file, sep='\s+', header=0, usecols=[0,1,2], names=['E (eV)', 'UP', 'DN'] )

## single_machine_slurm_on_ubuntu.md

      
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                kimrojas
                / single_machine_slurm_on_ubuntu.md
            
            
              Created
              June 2, 2022 02:20
                — forked from ckandoth/single_machine_slurm_on_ubuntu.md
            
              
                Install Slurm 19.05 on a standalone machine running Ubuntu 20.04
              
          
    Use apt to install the necessary packages:
sudo apt install -y slurm-wlm slurm-wlm-doc

Load file:///usr/share/doc/slurm-wlm/html/configurator.html in a browser (or file://wsl%24/Ubuntu/usr/share/doc/slurm-wlm/html/configurator.html on WSL2), and:

Set your machine's hostname in SlurmctldHost and NodeName.
Set CPUs as appropriate, and optionally Sockets, CoresPerSocket, and ThreadsPerCore. Use command lscpu to find what you have.
Set RealMemory to the number of megabytes you want to allocate to Slurm jobs,
Set StateSaveLocation to /var/spool/slurm-llnl.
Set ProctrackType to linuxproc because processes are less likely to escape Slurm control on a single machine config.


## run_python_script_in_conda_env.bat
@echo OFF
rem How to run a Python script in a given conda environment from a batch file.

rem It doesn't require:
rem - conda to be in the PATH
rem - cmd.exe to be initialized with conda init

rem Define here the path to your conda installation
set CONDAPATH=C:\ProgramData\Miniconda3
rem Define here the name of the environment
	#!/usr/bin/env python3
	'''
	A script to plot work function using LOCPOT.
	Requirement: python3, numpy, matplotlib, ase
	Author: @Ionizing
	Date: 22:46, Jan 11th, 2021.

	CHANGELOG:
	- 1:56, Jan 25th, 2021
	- Add E-fermi level correction
	import pandas as pd

	test_file = 'name_of_test_file.csv'
	df = pd.read_csv(test_file, sep='\s+', header=0, usecols=[0,1,2], names=['E (eV)', 'UP', 'DN'] )
	@echo OFF
	rem How to run a Python script in a given conda environment from a batch file.

	rem It doesn't require:
	rem - conda to be in the PATH
	rem - cmd.exe to be initialized with conda init

	rem Define here the path to your conda installation
	set CONDAPATH=C:\ProgramData\Miniconda3
	rem Define here the name of the environment