mirror of https://gitlab.com/QEF/q-e.git
4a5732790a
new module uspp_param, shared between PW and CP (in file Modules/uspp.f90) The flag newpseudo is no longer used to decide whether states with oc=0 are bound or not: for those states, and only for the old RRKJ format, oc is set to a negative value, and this signals that they are not bound. Not elegant but simpler than it used to be. The converter to UPF format did not include those states anyway. Beware unexpected side effects! git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@914 c92efa57-630b-4861-b058-cf58834340f0 |
||
---|---|---|
.. | ||
Makefile | ||
compute_scf.f90 | ||
cplib.f90 | ||
cpr.f90 | ||
cpr_mod.f90 | ||
cprstart.f90 | ||
cprsub.f90 | ||
crayfft.f90 | ||
errore.f90 | ||
fft_cp.f90 | ||
input.f90 | ||
macdep.f90 | ||
modules.f90 | ||
neb_routines.f90 | ||
para.f90 | ||
read_pseudo.f90 | ||
restart.f90 | ||
stop_pw.f90 | ||
wrapper.f90 |