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Committer:
Jose M Soler
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Date:
2016-06-01 10:41:03 UTC
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mfrom:
(462.1.46 trunk)
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Revision ID:
jose.soler@uam.es-20160601104103-slom899le5iq8z2r
Merged with trunk-508
removed:
Src/m_diagon.F
added:
Docs/CHANGES.so-ramon
Src/diag3g.F
Src/diag3k.F
Src/m_diagon_opt.F90
Src/moments.F
Src/pdos2g.F
Src/pdos2k.F
Src/pdos3g.F
Src/pdos3k.F
Src/spinorbit.f
Tests/Pseudos/Fe_SOC.psf
Tests/Pseudos/Pt_SOC.psf
Tests/Reference/Pt2xx.out
Tests/Reference/Pt2xz.out
Tests/Reference/Pt2zy.out
Tests/Reference/Pt2zz.out
Tests/SOC_FePt_xx/
Tests/SOC_FePt_xx/FePtxx.fdf
Tests/SOC_FePt_xx/FePtxx.pseudos
Tests/SOC_FePt_xx/README
Tests/SOC_FePt_xx/makefile
Tests/SOC_FePt_xz/
Tests/SOC_FePt_xz/FePtxz.fdf
Tests/SOC_FePt_xz/FePtxz.pseudos
Tests/SOC_FePt_xz/README
Tests/SOC_FePt_xz/makefile
Tests/SOC_FePt_zy/
Tests/SOC_FePt_zy/FePtzy.fdf
Tests/SOC_FePt_zy/FePtzy.pseudos
Tests/SOC_FePt_zy/README
Tests/SOC_FePt_zy/makefile
Tests/SOC_FePt_zz/
Tests/SOC_FePt_zz/FePtzz.fdf
Tests/SOC_FePt_zz/FePtzz.pseudos
Tests/SOC_FePt_zz/README
Tests/SOC_FePt_zz/makefile
Tests/SOC_Pt2_xx/
Tests/SOC_Pt2_xx/Pt2xx.fdf
Tests/SOC_Pt2_xx/Pt2xx.pseudos
Tests/SOC_Pt2_xx/README
Tests/SOC_Pt2_xx/makefile
Tests/SOC_Pt2_xz/
Tests/SOC_Pt2_xz/Pt2xz.fdf
Tests/SOC_Pt2_xz/Pt2xz.pseudos
Tests/SOC_Pt2_xz/README
Tests/SOC_Pt2_xz/makefile
Tests/SOC_Pt2_zy/
Tests/SOC_Pt2_zy/Pt2zy.fdf
Tests/SOC_Pt2_zy/Pt2zy.pseudos
Tests/SOC_Pt2_zy/README
Tests/SOC_Pt2_zy/makefile
Tests/SOC_Pt2_zz/
Tests/SOC_Pt2_zz/Pt2zz.fdf
Tests/SOC_Pt2_zz/Pt2zz.pseudos
Tests/SOC_Pt2_zz/README
Tests/SOC_Pt2_zz/makefile
Tests/fe_clust_noncollinear-gga/
Tests/fe_clust_noncollinear-gga/fe_clust_noncollinear-gga.fdf
Tests/fe_clust_noncollinear-gga/fe_clust_noncollinear-gga.pseudos
Tests/fe_clust_noncollinear-gga/makefile
Tests/ge_fatbands_so/
Tests/ge_fatbands_so/ge_fatbands_so.fdf
Tests/ge_fatbands_so/ge_fatbands_so.pseudos
Tests/ge_fatbands_so/makefile
modified:
Docs/CHANGES
Docs/siesta.tex
Src/Makefile
Src/SiestaXC/ggaxc.f
Src/bands.F
Src/born_charge.F
Src/cdiag.F
Src/compute_dm.F
Src/compute_energies.F90
Src/compute_norm.F
Src/compute_rhog.F
Src/detover.F
Src/dfscf.f
Src/dhscf.F
Src/diag2g.F
Src/diag2k.F
Src/diagg.F
Src/diagk.F
Src/diagk_file.F
Src/diagkp.F
Src/diagon.F
Src/diagpol.f
Src/diagsprl.F
Src/final_H_f_stress.F
Src/grdsam.F
Src/initatom.f
Src/iodm_netcdf.F90
Src/ioeig.f
Src/kpoint_grid.F90
Src/kpoint_pdos.F90
Src/local_DOS.F
Src/m_broyden_mixing.f
Src/m_energies.F90
Src/m_fire_mixing.f
Src/m_pulay.F90
Src/m_spin.F90
Src/m_ts_electrode.F90
Src/mixer.F
Src/mulliken.F
Src/new_dm.F
Src/pdos.F
Src/pdosk.F
Src/pdoskp.F
Src/periodic_table.f
Src/post_scf_work.F
Src/projected_DOS.F
Src/rdiag.F
Src/read_options.F90
Src/reoptical.F
Src/rhoofd.F
Src/save_density_matrix.F
Src/scfconvergence_test.F
Src/setup_H0.F
Src/setup_hamiltonian.F
Src/siesta_analysis.F
Src/siesta_init.F
Src/sparse_matrices.F
Src/state_analysis.F
Src/state_init.F
Src/vmat.F
Src/write_subs.F
Src/writewave.F
Src/xc.f
Tests/Makefile
Tests/Reference/OMM_h2o.out
Tests/Reference/OMM_si.out
Tests/Reference/ag.out
Tests/Reference/ar2_vdw.out
Tests/Reference/batio3.out
Tests/Reference/benzene.out
Tests/Reference/bessel.out
Tests/Reference/born.out
Tests/Reference/born_spin.out
Tests/Reference/ch4.out
Tests/Reference/constant_volume.out
Tests/Reference/fe.out
Tests/Reference/fe_broyden.out
Tests/Reference/fe_clust_noncollinear.out
Tests/Reference/fire_benzene.out
Tests/Reference/floating.out
Tests/Reference/force_2.out
Tests/Reference/graphite_c6.out
Tests/Reference/graphite_vdw_df.out
Tests/Reference/h2o.out
Tests/Reference/h2oZ.out
Tests/Reference/h2o_basis.out
Tests/Reference/h2o_dos.out
Tests/Reference/h2o_findp_bug.out
Tests/Reference/h2o_op_broyden.out
Tests/Reference/h2o_radialgrid.out
Tests/Reference/h2o_reparam.out
Tests/Reference/h_chain.out
Tests/Reference/md_anneal.out
Tests/Reference/md_nose.out
Tests/Reference/md_npr.out
Tests/Reference/md_pr.out
Tests/Reference/md_verlet.out
Tests/Reference/mgco3.out
Tests/Reference/n_chain.out
Tests/Reference/oxyn.out
Tests/Reference/pb_filter_cutoff.out
Tests/Reference/pb_filter_tol.out
Tests/Reference/si-optical.out
Tests/Reference/si2x1h-dipole.out
Tests/Reference/si2x1h.out
Tests/Reference/si64.out
Tests/Reference/si64_coop.out
Tests/Reference/si_bandpoints.out
Tests/Reference/si_coop.out
Tests/Reference/si_pdos_kgrid.out
Tests/Reference/sic-slab.out
Tests/Reference/sih.out
Tests/Reference/sih_fire.out
Tests/Reference/sih_op_broyden.out
Tests/Reference/var_cell.out
Tests/Reference/zmatrix.out
Tests/graphite_vdw_df/graphite_vdw_df.fdf
Tests/test.mk
Util/COOP/Makefile
Util/Gen-basis/Makefile
Util/HSX/hsx_m.f90
Util/Helpers/Makefile
Util/Optimizer/Makefile
Util/TBTrans_rep/Makefile