Documentation updated

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8275 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2011-11-22 15:45:31 +00:00
parent 250de74ce6
commit 67b63dbe99
2 changed files with 15 additions and 0 deletions

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@ -1099,6 +1099,17 @@ CMPLX(...,...,KIND=dp). For complex conjugate, use CONJG. For imaginary part,
use AIMAG. IMPORTANT: Do not use REAL or CMPLX without KIND=dp, or else you
will lose precision (except when you take the real part of a
double precision complex number).
\item Do not use automatic arrays (e.g. \texttt{REAL(DP) :: A(N}}
in a subroutine) except if you are sure that the array is small in all
cases: you may easily exceed the stack size if the arrays are large.
\item Do not use pointers unless you have a good reason to:
allocatable arrays should be used instead.
\item If you use pointers, nullify them before performing tests on their
status.
\item Do not pass unallocated arrays ar arguments, even in those cases where
they are not actually used inside the subroutine.
\item Do not use any construct that is susceptible to be flagged as
out-of-bounds error, even if no actual out-of-bound error takes place.
\end{itemize}
\subsection{Adding or modifying input variables}

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@ -14,6 +14,10 @@ Incompatible changes in svn version:
Fixed in svn version
* Workaround for frequent crashes in PAW with vc-relax
* In some cases spin-polarized HSE was yielding NaN's
* PHonon: an array not always allocated was passed as variable to
routine dynmatrix.f90 - harmless but not nice
* disk_io='low' or 'none' wasn't working if a wavefunction file from a
previous run was found
* CP + OpenMP without MPI wasn't working with ultrasoft pseudopotentials