quantum-espresso/CPV
giannozz 4a5732790a Part of the variables for ultrasoft pseudopotentials have been moved to a
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
2004-05-26 11:04:07 +00:00
..
Makefile funct.f90 and which_dft moved to Modules/functionals.f90 2004-04-22 14:28:37 +00:00
compute_scf.f90 Variable reset_vel was not declared in input_parameters. 2004-05-05 12:22:19 +00:00
cplib.f90 Part of the variables for ultrasoft pseudopotentials have been moved to a 2004-05-26 11:04:07 +00:00
cpr.f90 More PP cleanup 2004-04-28 10:25:36 +00:00
cpr_mod.f90 deallocation statements added to CPV 2004-02-16 09:53:00 +00:00
cprstart.f90 bug fix with the use of clocks 2004-04-27 08:43:02 +00:00
cprsub.f90 Part of the variables for ultrasoft pseudopotentials have been moved to a 2004-05-26 11:04:07 +00:00
crayfft.f90 deallocation statements added to CPV 2004-02-16 09:53:00 +00:00
errore.f90 - unit 6 replaced by stdout in CPV 2003-11-09 10:42:50 +00:00
fft_cp.f90 deallocation statements added to CPV 2004-02-16 09:53:00 +00:00
input.f90 - SIC again 2004-04-19 07:29:16 +00:00
macdep.f90 - date_and_tim moved to flib and used by all code, 2004-03-28 21:36:28 +00:00
modules.f90 Part of the variables for ultrasoft pseudopotentials have been moved to a 2004-05-26 11:04:07 +00:00
neb_routines.f90 - Changes in FPMD required by SIC implementation 2004-04-13 22:30:02 +00:00
para.f90 - date_and_tim moved to flib and used by all code, 2004-03-28 21:36:28 +00:00
read_pseudo.f90 Part of the variables for ultrasoft pseudopotentials have been moved to a 2004-05-26 11:04:07 +00:00
restart.f90 More PP cleanup 2004-04-28 10:25:36 +00:00
stop_pw.f90 - Almost all neb routines moved to Modules 2004-03-15 00:08:26 +00:00
wrapper.f90 Cleanup in CPV: no more SSUM and CSUM 2004-03-07 16:37:10 +00:00