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automatically be expanded to include useful information about the checkin (including the file's revision number). With the switch over to SVN this was lost because SVN only does this expansion if you explicitly ask for it (for every single file). I have added a script to the contrib directory that sets the appropriate property to get SVN to do this expansion. This script will make it easy to do this every time new source files are added. It is called svn_expand_Id, the script contains some comments that explain the issue and how it addresses this. This checkin sets this property for a subset of the relevant files (trying to commit all files at once failed with svn crashing). In future the script will only affect those files for which the property was not set before.
178 lines
3 KiB
TeX
178 lines
3 KiB
TeX
% $Id$
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\setlength{\parskip}{6pt}
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% Set the version and year of release globally
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\newcommand{\nwchemversion}{5.1.1}
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\newcommand{\nwchemyear}{2008}
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\newcommand{\nwchemmonth}{August}
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\newcommand{\angstroms}{Angstr{\o}ms}
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\begin{document}
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\input{titlepage}
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\chapter*{\center DISCLAIMER}
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\input{disclaimer}
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\clearpage
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\tableofcontents
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\clearpage
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\chapter{Introduction}
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\input{intro.tex}
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\chapter{Getting Started}
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\input{getstart.tex}
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\chapter{NWChem Architecture}
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\input{nwarch.tex}
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\chapter{Functionality}
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\input{functionality.tex}
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\chapter{Top-level directives}
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\input{top-level}
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\chapter{Geometries}
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\input{geometry}
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\chapter{Basis sets}
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\input{basis}
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\chapter{Effective Core Potentials}
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\input{ecp}
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\chapter{Relativistic All-electron Approximations}
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\input{rel.tex}
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\chapter{Hartree-Fock or Self-consistent Field}
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\input{scf}
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\chapter{DFT for Molecules (DFT)}
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\input{dft.tex}
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\chapter{Spin-Orbit DFT (SODFT)}
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\input{sodft.tex}
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\chapter{COSMO}
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\input{cosmo.tex}
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%\chapter{GAPSS--no longer distributed with NWChem}
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%\input{gapss.tex}
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\chapter{CIS, TDHF, and TDDFT}
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\input{tddft}
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\chapter{Tensor Contraction Engine Module: CI, MBPT, and CC}
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\input{tce}
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\chapter{MP2}
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\input{mp2}
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\chapter{Multiconfiguration SCF}
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\input{mcscf.tex}
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\chapter{Selected CI}
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\input{selci.tex}
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\chapter{Coupled Cluster Calculations}
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\input{ccsd.tex}
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%\chapter{Four-Index Transformation}
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%\input{fourindex}
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%%\chapter{Plane-wave periodic DFT}
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%%\input{plnwv.tex}
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\chapter{Geometry Optimization with DRIVER}
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\input{driver}
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\chapter{Geometry Optimization with STEPPER}
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\input{stepper}
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\chapter{Geometry Optimization with TROPT}
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\input{tropt}
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\chapter{Minimum Energy Path with MEPGS}
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\input{mepgs}
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\chapter{Constraints for Geometry Optimization}
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\input{constraints}
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\chapter{Hybrid Calculations with ONIOM}
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\input{oniom}
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\chapter{Hessians}
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\input{hess}
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\chapter{Vibrational frequencies}
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\input{vib}
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\chapter{DPLOT}
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\input{dplot.tex}
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\chapter{Electron Transfer Calculations with ET}
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\input{etrans}
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\chapter{Properties}
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\input{property.tex}
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\chapter{VSCF}
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\input{vscf.tex}
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\chapter{Pseudopotential plane-wave density functional theory (NWPW)}
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\input{pspw.tex}
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\chapter{Electrostatic potentials}
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\input{esp.tex}
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\chapter{Prepare}
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\input{prepare.tex}
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\chapter{Molecular dynamics}
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\input{nwmd.tex}
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\chapter{Analysis}
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\input{analysis.tex}
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\chapter{Combined quantum and molecular mechanics}
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\input{qmmm}
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\chapter{File formats}
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\input{fileformats.tex}
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%\chapter{Pseudopotential plane-wave density functional theory (NWPW)}
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%\input{pspw.tex}
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\chapter{Dynamical Nucleation Theory Monte Carlo}
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\input{dntmc.tex}
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\chapter{Controlling NWChem with Python}
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\input{python.tex}
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\chapter{Interfaces to Other Programs}
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\input{interface.tex}
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\clearpage
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\chapter{Acknowledgments}
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\input{ack}
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\clearpage
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\appendix
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\chapter{Standard Basis Sets}
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\input{knownbas}
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\chapter{Sample input files}
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\input{sample}
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\chapter{Examples of geometries using symmetry}
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\input{symex}
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\chapter{Running NWChem}
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\input{execution}
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\end{document}
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