From 2f9fb11da3380dd91ae3d2486cfd8a96c04638f2 Mon Sep 17 00:00:00 2001 From: Ricky Kendall Date: Fri, 13 Feb 1998 01:22:59 +0000 Subject: [PATCH] minor fixes --- doc/user/GNUmakefile | 19 +++++++++++++------ doc/user/getstart.tex | 14 +++++++++----- doc/user/scf.tex | 3 ++- doc/user/userpsfix | 32 ++++++++++++++++++++++++++++++++ 4 files changed, 56 insertions(+), 12 deletions(-) create mode 100755 doc/user/userpsfix diff --git a/doc/user/GNUmakefile b/doc/user/GNUmakefile index 786402e7d5..f3d7fa6d50 100644 --- a/doc/user/GNUmakefile +++ b/doc/user/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 1.9 1997-06-01 20:36:05 gutowski Exp $ +# $Id: GNUmakefile,v 1.10 1998-02-13 01:22:56 d3e129 Exp $ SOURCE = ack.tex execution.tex mcscf.tex sample.tex symex.tex \ basis.tex fourindex.tex scf.tex top-level.tex \ @@ -9,26 +9,33 @@ SOURCE_NOT_USED = md.tex + DVIPS_OPTS = -D300 -N0 -i -S200 + all postscript user.ps: $(SOURCE) + rm -f user.[0-9][0-9][0-9] user.[0-9][0-9][0-9].ps latex user.tex latex user.tex latex user.tex - dvips -D 300 -N0 -o user.ps user.dvi + dvips user ${DVIPS_OPTS} -o + ./userpsfix odd: $(SOURCE) + rm -f user.[0-9][0-9][0-9] user.[0-9][0-9][0-9].ps usereven.ps userodd.ps latex user.tex latex user.tex latex user.tex - dvips -D 300 -N0 -A -o userodd.ps user.dvi - dvips -D 300 -N0 -B -o usereven.ps user.dvi + dvips user -D300 -N0 -A -o userodd.ps + dvips user -D300 -N0 -B -o usereven.ps quick: $(SOURCE) + rm -f user.[0-9][0-9][0-9] user.[0-9][0-9][0-9].ps latex user.tex - dvips -D 300 -N0 -o user.ps user.dvi + dvips user ${DVIPS_OPTS} -o + ./userpsfix html: ../htmlize user view: user.ps - ghostview -bg white -fg black -bd black user.ps + ghostview -bg white -fg black -bd black user.001.ps realclean clean: /bin/rm -f *.dvi *.ps *.toc *.aux *.log *~ diff --git a/doc/user/getstart.tex b/doc/user/getstart.tex index d0e23b6f24..95baede547 100644 --- a/doc/user/getstart.tex +++ b/doc/user/getstart.tex @@ -29,11 +29,15 @@ related and are terminated with an \verb+END+ directive. See the sample inputs (Sections \ref{sec:simplesample}, \ref{sec:realsample}) and the input syntax specification (Section \ref{sec:syntax}). -All input is free format, and directives or blocks of module-specific -directives can appear in any order, with the exception of the -\verb+TASK+ directive (see sections \ref{sec:inputstructure} and -\ref{sec:task}) which is used to invoke an NWChem module. Case is -ignored except for actual data (e.g., names/tags of centers, titles). +All input is free format and case is ignored except for actual data +(e.g., names/tags of centers, titles). Directives or blocks of +module-specific directives (i.e., compound directives) can appear in +any order, with the exception of the \verb+TASK+ directive (see +sections \ref{sec:inputstructure} and \ref{sec:task}) which is used to +invoke an NWChem module. All input for a given task must +proceed the \verb+TASK+ directive. This input specification rule +allows the concatenation of multiple tasks in a single NWChem input +file. To make the input as short and simple as possible, most options have default values. The user needs to supply input only for those items that diff --git a/doc/user/scf.tex b/doc/user/scf.tex index f6aca80d12..eee427a404 100644 --- a/doc/user/scf.tex +++ b/doc/user/scf.tex @@ -70,7 +70,8 @@ orbitals can be obtained by specifying \begin{verbatim} scf - triplet uhf + uhf + triplet ... diff --git a/doc/user/userpsfix b/doc/user/userpsfix new file mode 100755 index 0000000000..a74ad09a29 --- /dev/null +++ b/doc/user/userpsfix @@ -0,0 +1,32 @@ +#!/bin/csh +@ count = 1 +while ($count) + if ($count < 10) then + if (-e user.00${count}) then + echo "mv user.00${count} user.00${count}.ps" + mv user.00${count} user.00${count}.ps + @ count++ + else + @ count = 0 + endif + else if ($count < 100) then + if (-e user.0${count}) then + echo "mv user.0${count} user.0${count}.ps" + mv user.0${count} user.0${count}.ps + @ count++ + else + @ count = 0 + endif + else if ($count < 1000) then + if (-e user.${count}) then + echo "mv user.${count} user.${count}.ps" + mv user.${count} user.${count}.ps + @ count++ + else + @ count = 0 + endif + else + echo "count value of $count requires a fix in userpsfix" + exit 911 + endif +end