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quantum-espresso/VdW
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giannozz c85f1c444e Minor changes tothe qexml file format, by AF: in particular, added the 
flag reporting whether only half G-vector sphere is present (not
actually used in q-e but it may be useful for other codes). make.depend
updated


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4819 c92efa57-630b-4861-b058-cf58834340f0
 		2008-04-18 12:29:55 +00:00
..
Makefile This is a quite complex check-in, but actually not very much is done. Changelog follows. 2008-04-03 15:50:43 +00:00
allocate_vdw.f90 Calculation of finite (imaginary) frequency molecular polarizability using 2006-04-03 10:33:22 +00:00
cegterg.f90 - reduce substituted by mp_sum 2008-04-12 16:12:49 +00:00
ch_psi_all.f90 - reduce substituted by mp_sum 2008-04-12 16:12:49 +00:00
check_v_eff.f90 - reduce substituted by mp_sum 2008-04-12 16:12:49 +00:00
dv_of_drho.f90 scf_mod again.. 2007-11-01 11:19:31 +00:00
dvpsi_e.f90 - reduce substituted by mp_sum 2008-04-12 16:12:49 +00:00
eff_pot.f90 - reduce substituted by mp_sum 2008-04-12 16:12:49 +00:00
h_psiq.f90 Final (?) calbec cleanup, update of make.depend files 2007-12-19 17:47:12 +00:00
incdrhoscf.f90 More miscellanous cleanup from Axel: 2006-12-12 11:02:09 +00:00
make.depend Minor changes tothe qexml file format, by AF: in particular, added the 2008-04-18 12:29:55 +00:00
pbcg_psi.f90 More cleanup from Axel: 2006-12-02 17:58:50 +00:00
polariz.f90 - poolreduce replaced by mp_sum(...,inter_pool_comm) 2008-01-23 16:42:52 +00:00
print_clock_vdw.f90 - poolreduce removed 2008-01-24 23:45:32 +00:00
solve_e.f90 - reduce substituted by mp_sum 2008-04-12 16:12:49 +00:00
start_vdw.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
stop_vdw.f90 Calculation of finite (imaginary) frequency molecular polarizability using 2006-04-03 10:33:22 +00:00
vdw.f90 VdW works again (maybe: as it is written now, it is close to impossible 2008-01-28 22:02:50 +00:00
vdwcom.f90 Calculation of finite (imaginary) frequency molecular polarizability using 2006-04-03 10:33:22 +00:00