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