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Update installation for ppconvert.

This commit is contained in:
Ye Luo 2018-05-29 11:36:51 -05:00
parent 54da3a22af
commit c7e93e1e86
2 changed files with 4 additions and 6 deletions
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1
manual/additional_tools.tex
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@ -33,6 +33,7 @@ different file formats and QMCPACK (e.g. ppconvert and convert4qmc),
source code. The patch, as well as automated QE download and patch scripts, can be found in
\texttt{trunk/external\_codes/quantum\_espresso}.
\subsection{ppconvert}
\label{sec:ppconvert}
ppconvert is a utility to convert pseudopotentials between different commonly used formats.
It is a stand alone C++ executable that is not built by default but accessible via adding
\texttt{-DBUILD\_PPCONVERT=1} to cmake and then typing \texttt{make ppconvert}.

9
manual/installation.tex
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@ -1320,12 +1320,9 @@ atomic orbitals to recomputed via a numerical density functional
calculation if they need to be reconstructed for use in an
electronic structure calculation.
To build ppconvert follow the instructions in
src/QMCTools/ppconvert/README. Currently ppconvert is not built
automatically although we expect to automate it soon. The makefile
must be updated to refer to suitable C++ compiler and link in
BLAS. Due to the small size of the calculations, optimal settings are
not essential.
It is a stand alone C++ executable that is not built by default but accessible via adding
\texttt{-DBUILD\_PPCONVERT=1} to cmake and then typing \texttt{make ppconvert}.
Userguide is provided in section~\ref{sec:ppconvert}.
\section{Installing and patching Quantum ESPRESSO}
\label{sec:buildqe}