diff --git a/doc/user/python.tex b/doc/user/python.tex index 2a87599565..e085d9ac68 100644 --- a/doc/user/python.tex +++ b/doc/user/python.tex @@ -16,7 +16,7 @@ for a full manual and lots of useful code and resources. \section{How to input and run a Python program inside NWChem} -A Python program in input into NWChem inside a Python compound directive. +A Python program is input into NWChem inside a Python compound directive. \begin{verbatim} python [print|noprint] ... @@ -225,7 +225,7 @@ the above task easier. return task_energy('scf') exponent = 0.1 - while exponent <= 2.0: + while exponent <= 2.01: energy = energy_at_exponent(exponent) if (ga_nodeid() == 0): print ' exponent = ', exponent, ' energy = ', energy @@ -636,9 +636,9 @@ This indicates that NWChem thinks that a line is less indented than the first line. If this is not the case then perhaps there is a tab in your input which NWChem treats as a single space character but appears to you as more spaces. Try running \verb+untabify+ in Emacs. -It could also be the \verb+END+ directive that terminates the +The problem could also be the \verb+END+ directive that terminates the \verb+PYTHON+ compound directive --- since Python also has an -\verb+end+ statement then to avoid confusion the \verb+END+ directive +\verb+end+ statement. To avoid confusion the \verb+END+ directive for NWChem {\em must} be at the start of the line. \item Your program hangs or deadlocks --- most likely you have a piece