quantum-espresso/atomic
giannozz 1eab19081e UPF output for single-projector MT PP should work now
dftname => dft_name (conflict with dftname in flib/more_functionals.f90)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1538 c92efa57-630b-4861-b058-cf58834340f0
2005-01-05 16:33:42 +00:00
..
Makefile - common xc and gga functionals subroutines for all code PW/CP/FPMD 2004-12-31 11:14:32 +00:00
all_electron.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
ascheq.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
ascheqlocps.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
ascheqps.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
cfdsol.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
charge.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
chargeps.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
compute_chi.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
compute_det.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
compute_phi.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
compute_phipot.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
compute_phius.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
compute_solution.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
constants.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
descreening.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
dir_outward.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
dirsol.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
dmixp.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
do_mesh.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
el_config.f90 More cleanup 2004-07-10 16:49:17 +00:00
elsd.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
elsdps.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
esic.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
exc_t.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
find_qi.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
gener_pseudo.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
hartree.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
int_0_inf_dr.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
integrate_inward.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
integrate_outward.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
intref.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
ld1.f90 Merged noncolinear and colinear symmetries (routines sgama, irrek). 2004-05-21 16:19:20 +00:00
ld1_readin.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
ld1_setup.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
ld1_writeout.f90 UPF output for single-projector MT PP should work now 2005-01-05 16:33:42 +00:00
ld1inc.f90 Patches from Axel Kohlmayer: 2004-10-26 09:32:48 +00:00
lderiv.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
lderivps.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
lschps.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
new_potential.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
newd_at.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
nodenum.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
normalize.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
openfil.f90 PP generation code added in atomic/ - still some cleanup to do 2004-05-14 15:33:08 +00:00
parameters.f90 Cleanup, indentation, minor things 2004-07-13 17:32:44 +00:00
pseudo_types.f90 PP generation code added in atomic/ - still some cleanup to do 2004-05-14 15:33:08 +00:00
pseudovloc.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
read_newpseudo.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
read_pseudo.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
read_pseudo_module.f90 symbol declared twice, fixed [Gerardo] 2004-12-13 14:28:47 +00:00
read_pseudoupf.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
run_pseudo.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
run_test.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
scf.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
seriebes.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
series.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
set_rho_core.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
sic_correction.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
start_potps.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
starting_potential.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
trou.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
vext.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
vpack.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
vxc_t.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
vxcgc.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
write_paw_recon.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
write_pseudo.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
write_results.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
write_resultsps.f90 Cleanup of the atomic code by Pascal Thibaudeau - mostly cosmetic 2004-12-10 15:33:00 +00:00
write_upf.f90 UPF output for single-projector MT PP should work now 2005-01-05 16:33:42 +00:00