mirror of https://gitlab.com/QEF/q-e.git
Documentation updated
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8275 c92efa57-630b-4861-b058-cf58834340f0
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@ -1099,6 +1099,17 @@ CMPLX(...,...,KIND=dp). For complex conjugate, use CONJG. For imaginary part,
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use AIMAG. IMPORTANT: Do not use REAL or CMPLX without KIND=dp, or else you
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will lose precision (except when you take the real part of a
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double precision complex number).
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\item Do not use automatic arrays (e.g. \texttt{REAL(DP) :: A(N}}
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in a subroutine) except if you are sure that the array is small in all
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cases: you may easily exceed the stack size if the arrays are large.
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\item Do not use pointers unless you have a good reason to:
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allocatable arrays should be used instead.
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\item If you use pointers, nullify them before performing tests on their
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status.
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\item Do not pass unallocated arrays ar arguments, even in those cases where
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they are not actually used inside the subroutine.
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\item Do not use any construct that is susceptible to be flagged as
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out-of-bounds error, even if no actual out-of-bound error takes place.
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\end{itemize}
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\subsection{Adding or modifying input variables}
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@ -14,6 +14,10 @@ Incompatible changes in svn version:
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Fixed in svn version
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* Workaround for frequent crashes in PAW with vc-relax
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* In some cases spin-polarized HSE was yielding NaN's
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* PHonon: an array not always allocated was passed as variable to
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routine dynmatrix.f90 - harmless but not nice
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* disk_io='low' or 'none' wasn't working if a wavefunction file from a
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previous run was found
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* CP + OpenMP without MPI wasn't working with ultrasoft pseudopotentials
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