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utf / gradients.ipynb

Last active November 4, 2022 11:17

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utf / pw.json

Created March 25, 2022 13:29

This file has been truncated, but you can view the full file.

{"lattice": [[6.57303913, -2.93345452, 0.0], [6.57303913, 2.93345452, 0.0], [0.0, 0.0, 5.86213264]], "repetitions": [2, 2, 2], "natoms": 12, "atom_pos_car": [[11.036949070729944, 0.0, 2.93106632], [8.682168319270055, 0.0, 0.0], [2.1091291892700537, 0.0, 2.93106632], [4.463909940729946, 0.0, 0.0], [6.573039130000001, 0.7427400653586378, 3.674924465304165], [6.573039129999999, 2.190714454641362, 0.7438581453041647], [6.573039129999999, -2.190714454641362, 5.118274494695835], [6.573039130000001, -0.7427400653586378, 2.1872081746958347], [9.859558695, -1.439750038852272, 4.39659948], [9.859558695, 1.439750038852272, 1.46553316], [3.286519565, 1.439750038852272, 1.46553316], [3.286519565, -1.439750038852272, 4.39659948]], "atom_pos_red": [[0.8395621, 0.8395621, 0.5], [0.6604379, 0.6604379, 0.0], [0.1604379, 0.1604379, 0.5], [0.3395621, 0.3395621, 0.0], [0.37340181, 0.62659819, 0.62689207], [0.12659819, 0.87340181, 0.12689207], [0.87340181, 0.12659819, 0.87310793], [0.62659819, 0.37340181, 0.37310793], [0.9954018, 

utf / elastic

Created August 20, 2021 15:14

	#! /usr/bin/awk -f
	#
	# Name: Extract elastic constant tensor
	# Author: Alex Ganose
	# Version: 1.0
	# Date: 20/08/21
	# Usage: elastic [OUTCAR]

	/TOTAL ELASTIC MODULI/ {
	l = NR

utf / revtex.mplstyle

Created November 19, 2020 18:36

	figure.figsize : 3.2, 3.3
	figure.dpi: 400
	axes.prop_cycle: cycler('color', ['17479E', 'faa316', '0DB14B', '993f00', '4c005c', '426600', 'ff0010', '9dcc00', 'c20088', '003380', 'ffa405', 'ffff00', 'ff5005', '5ef1f2', '740aff', '990000', '00998f', '005c31', '2bce48', 'ffcc99', '94ffb5', '8f7c00', '6fa8bb', '808080'])
	font.family : serif
	font.serif : Computer Modern Roman, Times New Roman, Times, Computer Modern Roman, DejaVu Serif, Bitstream Vera Serif, New Century Schoolbook, Century Schoolbook L, Utopia, ITC Bookman, Bookman, Nimbus Roman No9 L, Palatino, Charter, serif
	font.size : 11
	text.latex.preamble: \usepackage{siunitx}
	text.usetex : True
	axes.titlesize : 11
	axes.labelsize : 11

utf / large_structure.json

Created March 6, 2019 17:15

{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.5400000000000007, -2.6673582436560714, -3.771912141373848e-16], [-1.5399999999999994, 2.6673582436560714, 1.885956070686924e-16], [-15.400000000000006, -10.669432974624286, -1035.0]], "a": 3.080000000000001, "b": 3.08, "c": 1035.1695497839955, "alpha": 90.08523775937532, "beta": 89.06234313944718, "gamma": 120.00000000000001, "volume": 8503.004609126825}, "sites": [{"species": [{"element": "C", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "C", "properties": {"combined_sites": ""}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.6666666664000003, 0.6666666665000003, 0.6666666667000001], "xyz": [-12.319999999846006, -7.112955316505103, -690.0000000345001], "label": "C", "properties": {"combined_sites": ""}}, {"species": [{"element": "C", "occu": 1}], "abc": [0.3333333336000006, 0.3333333335000006, 0.3333333332999999], "xyz": [-6.160000000154002, -3.5564776581191824, -344.999999

utf / journal_abbreviations.txt

Created January 9, 2018 15:45

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	"Brevia" = Brevia (Rome)
	"Dens sapiens" = Dens Sapiens
	"Il Bassini" = Bassini
	"Interferences" Series = Interf. Ser.
	"Laboratorio;" analisis clinicos, bacteriologia, inmunologia, parasitologia, hematologia, anatomia patologica, quimica clinica = Laboratorio
	"Meteor" Forschungsergebnisse = "Meteor" Forschungsergeb.
	"Politehnica" University of Bucharest = Politehn. Univ. Bucharest Sci. Bull. Ser. D Mech. Engrg.
	$K$-Monographs in Mathematics = $K$-Monogr. Math.
	$K$-Theory = $K$-Theory
	'Adiyat Halab = Adiyat Halab

utf / INCAR

Last active November 9, 2022 09:52

	SYSTEM = Generic Input

	start Parameters
	NWRITE = 2 ! Medium-level information output
	ISTART = 1 ! read existing wavefunction; if there
	INIWAV = 1 ! Random initial wavefunction; otherwise
	ICORELEVEL = 1 ! Print core levels
	!ICHARG = 11 ! Non-selfconsistent: GGA/LDA band structures
	!NBANDS = 130 ! No. bands

utf / Installing RVM Ruby Rails Passenger nginx on CentOS

Created August 11, 2012 00:32 — forked from fytzzz/Installing RVM + Ruby + Rails + Passenger + nginx on CentOS

Installing RVM + Ruby + Rails + Passenger + nginx on CentOS

	#Steps to install RVM + Ruby 1.9.3 + Rails + nginx + Passenger on CentOS (tested on v5.5)

	# Todo get up to date repo's

	# Install git and curl, if not already installed
	sudo yum install git
	sudo yum install curl-devel

	# Create the rvm group and add any users who will be using rvm to the group
	sudo su -

Alex Ganose utf