Commit Graph

8 Commits

Author SHA1 Message Date
giannozz 23a32c1d5f Believe it or not, CMPLX(0.d0,0.d0) /= (0.d0,0.d0) : the latter is a double
precision complex, the former is a single precision complex. Not a big deal, 
since we use only complex 0 or 1 or i for which there is no loss of precision.
Note however that CMPLX(a,0.d0) with "a" double precision real, or CMPLX(a,b)
are single-precision complex, and this can introduce loss of precision.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13314 c92efa57-630b-4861-b058-cf58834340f0
2017-02-17 13:11:41 +00:00
spigafi 533c8119e0 Horror, statements longer than 132 characters. Fixed!
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12953 c92efa57-630b-4861-b058-cf58834340f0
2016-09-11 15:00:41 +00:00
ccavazzoni 8f777555f3 - adding "howmany" parameter to the cfft3d subroutine,
to compute many FFTs at the same time, particularly usefull for EXX
  but could be usefule for many linear response code as well
  (for the time being implemented only for DFTI and internal FFTW,
  should be trivial to extend other drivers)
- more clean-ups


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12815 c92efa57-630b-4861-b058-cf58834340f0
2016-08-19 22:55:53 +00:00
giannozz a528fc89f3 More small fixes for NAG compiler, by Samuel Ponce'
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12308 c92efa57-630b-4861-b058-cf58834340f0
2016-04-14 17:39:49 +00:00
degironc fd25445b20 cleanup: gfortran correctly crashes at the first assignement of a couple of never allocated,
never-used-again arrays.



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12300 c92efa57-630b-4861-b058-cf58834340f0
2016-04-11 19:52:07 +00:00
degironc 325cbc8490 gfortran complains for a few too long lines
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12299 c92efa57-630b-4861-b058-cf58834340f0
2016-04-11 18:07:08 +00:00
degironc d7e9274e82 cleanup of commented debubbing printouts
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12297 c92efa57-630b-4861-b058-cf58834340f0
2016-04-11 16:19:09 +00:00
degironc 4bd82d234d phonon with vdW-DF/vdw-DF2/rVV10 added.
make.depend updated


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12296 c92efa57-630b-4861-b058-cf58834340f0
2016-04-11 15:40:37 +00:00