- workaround for gfortran (it is sort of working)
- single precision constants promoted to double precision
- dfloat-> DBLE
- DIMAG ->AIMAG
- DCMPLX->CMPLX
Note that ALL calls to dfloat, dimag, dcmplx have been added recently,
since I removed all of them no more than a few months ago
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3586 c92efa57-630b-4861-b058-cf58834340f0
libcp.a respectively), used to load the executables. This removes
the need to specify all needed objects in many different makefiles.
Works with 95, ifort, xlf. Please let me know if there are problems
with more exotic or lousy compilers.
A few minor things fixed as well.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3428 c92efa57-630b-4861-b058-cf58834340f0
unless you add -DUSE_SPLINES to DFLAGS in your make.sys. Magnetic response
slightly improved by splines. By D. Ceresoli
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3394 c92efa57-630b-4861-b058-cf58834340f0
ported to Espresso by D. Ceresoli, A. P. Seitsonen, U. Gerstman and
F. Mauri.
The code computes: magnetic susceptibility, NMR shielding tensors,
g-tensors, in molecules and solids.
Up to now, only the bare (valence) part is implemeted. Reconstruction
(GIPAW) will come soon.
To be tested in parallel.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3214 c92efa57-630b-4861-b058-cf58834340f0