..
Makefile
14 feb 2004 LDA+U: variable starting_ns_eigenvalue has been added in
2004-02-14 08:39:34 +00:00
allocate_d3.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
bcast_d3_input.f90
Documentation updated to reflect merge of Gamma and k-point versions
2003-12-11 11:10:03 +00:00
ch_psi_all2.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
close_open.f90
Documentation updated to reflect merge of Gamma and k-point versions
2003-12-11 11:10:03 +00:00
d0rhod2v.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
d2mxc.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
d3_exc.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
d3_init.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
d3_readin.f90
Documentation updated to reflect merge of Gamma and k-point versions
2003-12-11 11:10:03 +00:00
d3_recover.f90
calls to mpi_bcast replaced by calls to interface mp_bicast
2003-03-24 15:25:17 +00:00
d3_setup.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
d3_summary.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
d3_symdyn.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
d3_symdynph.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
d3_valence.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
d3com.f90
Extensive module cleanup: DP moved from wrong place (parameters) to the
2004-01-23 15:08:03 +00:00
d3dyn_cc.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
d3ionq.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
d3matrix.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
d3toten.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
d3vrho.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
davcio_drho2.f90
Extensive module cleanup: DP moved from wrong place (parameters) to the
2004-01-23 15:08:03 +00:00
dpsi_corr.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
dpsidpsidv.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
dpsidvdpsi.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
dqrhod2v.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
drho_cc.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
drho_drc.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
drhod2v.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
dvdpsi.f90
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
2003-02-21 14:57:00 +00:00
dvscf.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
gen_dpdvp.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
gen_dwfc.f90
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
2003-11-06 13:06:49 +00:00
incdrhoscf2.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
openfild3.f90
Documentation updated to reflect merge of Gamma and k-point versions
2003-12-11 11:10:03 +00:00
print_clock_d3.f90
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
2003-11-06 13:06:49 +00:00
psymd0rho.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
qstar_d3.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
read_ef.f90
calls to mpi_bcast replaced by calls to interface mp_bicast
2003-03-24 15:25:17 +00:00
rotate_and_add_d3.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
set_d3irr.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
set_efsh.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
set_sym_irr.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
sgama_d3.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
solve_linter_d3.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
stop_d3.f90
- bug (alpha compiler) reported by Sergey has been fixed
2003-11-09 18:30:08 +00:00
sym_def1.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
symd0rho.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
trntnsc_3.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
w_1gauss.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
write_aux.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
write_d3dyn.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00
write_igk.f90
- bug (alpha compiler) reported by Sergey has been fixed
2003-11-09 18:30:08 +00:00
writed3dyn_5.f90
4 feb 2004 D3 code updated to work with max_irr_dim != 3, some cleanup.
2004-02-04 11:06:45 +00:00