minor fixes

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 *~

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

doc/user/scf.tex

@@ -70,7 +70,8 @@ orbitals can be obtained by specifying
 
 \begin{verbatim}
 scf
-     triplet uhf
+     uhf
+     triplet 
 
      ...
 

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