X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=posic%2Fthesis%2Fcode.tex;h=37039f8008bbb2b8171dd78826368a0146c1c465;hp=a420c39bad9ca8a31e2e04cee27a9118a079705c;hb=0bcb803ceeceac852352af7809e2c88fa3d50860;hpb=4467ed9809f91a6b90790582f53c38466850be3b diff --git a/posic/thesis/code.tex b/posic/thesis/code.tex index a420c39..37039f8 100644 --- a/posic/thesis/code.tex +++ b/posic/thesis/code.tex @@ -31,7 +31,7 @@ script starting the {\em mdrun} application and postprocessing. \paragraph{calc\_delta\_e} determines defect formation energies using SiC as a particle reservoir. \paragraph{pair\_correlation\_calc.c} -computes the radial dsitribution function. +computes the radial distribution function. \paragraph{display\_atom\_data.c} displays atom specific information. \paragraph{bond\_analyze.c} @@ -41,7 +41,7 @@ performs bond analysis on a large quantity of data. \paragraph{search\_bonds.c} prints out pairs of atoms featuring specific bond properties. \paragraph{visual\_atoms.c} -creates a detailed atomic datafile. +creates a detailed atomic data file. \paragraph{visualize} creates images of atomic configurations. \paragraph{parcasconv} @@ -58,7 +58,7 @@ creates a movie out of atomic configuration images. \subsection[Operating {\normalfont\textsc{vasp}}]{Operating VASP} \paragraph{create\_lattice.c} -create the lattice in \textsc{vasp} POSCAR fomat. +create the lattice in \textsc{vasp} POSCAR format. \paragraph{runvasp\_rx200} executing \textsc{vasp} on the Augsburg Linux Compute Cluster. \paragraph{sd\_rot\_all-atoms.patch}