December 2010 Archives by author
Starting: Thu Dec 2 14:47:39 CET 2010
Ending: Fri Dec 31 14:18:22 CET 2010
Messages: 172
- [Q-e-commits] espresso/CPV chargedensity.f90, 1.73, 1.74 cprstart.f90, 1.60, 1.61 init_run.f90, 1.65, 1.66 input.f90, 1.174, 1.175 runcp.f90, 1.60, 1.61
ccavazzoni at qe-forge.org
- [Q-e-commits] espresso/flib inpfile.f90,1.12,1.13
ccavazzoni at qe-forge.org
- [Q-e-commits] espresso/Modules griddim.f90, 1.19, 1.20 mp_global.f90, 1.43, 1.44 wave_base.f90, 1.23, 1.24
ccavazzoni at qe-forge.org
- [Q-e-commits] espresso/CPV cg_sub.f90, 1.80, 1.81 cglib.f90, 1.40, 1.41 chargedensity.f90, 1.74, 1.75 cp_fpmd.f90, 1.81, 1.82 cp_restart.f90, 1.108, 1.109 cplib.f90, 1.210, 1.211 cplib_meta.f90, 1.28, 1.29 cpr.f90, 1.219, 1.220 cprsub.f90, 1.118, 1.119 dforceb.f90, 1.14, 1.15 eigs0.f90, 1.29, 1.30 electrons.f90, 1.29, 1.30 exch_corr.f90, 1.59, 1.60 fft.f90, 1.44, 1.45 forces.f90, 1.46, 1.47 gtable.f90, 1.17, 1.18 gvecw.f90, 1.1, 1.2 init.f90, 1.61, 1.62 init_run.f90, 1.66, 1.67 inner_loop_cold.f90, 1.22, 1.23 ksstates.f90, 1.37, 1.38 mainvar.f90, 1.47, 1.48 makov_payne.f90, 1.5, 1.6 move_electrons.f90, 1.37, 1.38 nl_base.f90, 1.38, 1.39 nlcc.f90, 1.38, 1.39 ortho.f90, 1.43, 1.44 ortho_base.f90, 1.62, 1.63 plugin_forces.f90, 1.1, 1.2 polarization.f90, 1.12, 1.13 potentials.f90, 1.70, 1.71 pseudopot_sub.f90, 1.25, 1.26 qmatrixd.f90, 1.15, 1.16 qqberry.f90, 1.32, 1.33 restart.f90, 1.94, 1.95 restart_sub.f90, 1.84, 1.85 runcp.f90, 1.61, 1.62 stress.f90, 1.41, 1.42 vol_clu.f90, 1.18, 1.19 wave.f90, 1.39, 1.40 wf.f90, 1.62, 1.63
ccavazzoni at qe-forge.org
- [Q-e-commits] espresso/Modules electrons_base.f90, 1.46, 1.47 environment.f90, 1.4, 1.5 mp_global.f90, 1.44, 1.45 wavefunctions.f90, 1.10, 1.11
ccavazzoni at qe-forge.org
- [Q-e-commits] espresso/flib inpfile.f90,1.13,1.14
ccavazzoni at qe-forge.org
- [Q-e-commits] espresso/CPV chargedensity.f90, 1.75, 1.76 cp_interfaces.f90, 1.37, 1.38 fromscra.f90, 1.70, 1.71 gradrho.f90, 1.13, 1.14 init.f90, 1.64, 1.65 init_run.f90, 1.67, 1.68 move_electrons.f90, 1.38, 1.39 nl_base.f90, 1.39, 1.40 ortho.f90, 1.44, 1.45 stress.f90, 1.42, 1.43
ccavazzoni at qe-forge.org
- [Q-e-commits] espresso/examples/example36 run_example,1.1,1.2
dalcorso at qe-forge.org
- [Q-e-commits] espresso/PW make_pointlists.f90,1.21,1.22
dalcorso at qe-forge.org
- [Q-e-commits] espresso/PW force_us.f90,1.37,1.38
dalcorso at qe-forge.org
- [Q-e-commits] espresso/PW addusforce.f90,1.30,1.31
dalcorso at qe-forge.org
- [Q-e-commits] espresso/Modules parser.f90,1.28,1.29
dalcorso at qe-forge.org
- [Q-e-commits] espresso/flib avrec.f90, 1.5, 1.6 bachel.f90, 1.3, 1.4 cryst_to_car.f90, 1.1, 1.2 dylmr2.f90, 1.5, 1.6 expint.f90, 1.2, 1.3 functionals.f90, 1.20, 1.21 invmat.f90, 1.6, 1.7 invmat_complex.f90, 1.2, 1.3 linpack.f90, 1.6, 1.7 lsda_functionals.f90, 1.13, 1.14 sort.f90, 1.12, 1.13 w0gauss.f90, 1.1, 1.2 w1gauss.f90, 1.1, 1.2 wgauss.f90, 1.1, 1.2 ylmr2.f90, 1.11, 1.12
dalcorso at qe-forge.org
- [Q-e-commits] espresso/PP average.f90, 1.40, 1.41 chdens.f90, 1.74, 1.75
dalcorso at qe-forge.org
- [Q-e-commits] espresso/PW read_file.f90,1.96,1.97
dalcorso at qe-forge.org
- [Q-e-commits] espresso/Modules make.depend,1.92,1.93
dalcorso at qe-forge.org
- [Q-e-commits] espresso/PH addnlcc.f90, 1.28, 1.29 addnlcc_zstar_eu_us.f90, 1.21, 1.22 allocate_phq.f90, 1.37, 1.38 chi_test.f90, 1.9, 1.10 compute_drhous.f90, 1.26, 1.27 compute_drhous_nc.f90, 1.13, 1.14 compute_vsgga.f90, 1.9, 1.10 dhdrhopsi.f90, 1.22, 1.23 drho.f90, 1.42, 1.43 drhodv.f90, 1.26, 1.27 drhodvloc.f90, 1.21, 1.22 drhodvus.f90, 1.25, 1.26 dvpsi_e2.f90, 1.18, 1.19 ef_shift.f90, 1.27, 1.28 el_opt.f90, 1.20, 1.21 elphon.f90, 1.60, 1.61 incdrhoscf_nc.f90, 1.12, 1.13 incdrhous_nc.f90, 1.15, 1.16 localdos.f90, 1.36, 1.37 make.depend, 1.92, 1.93 openfilq.f90, 1.40, 1.41 phq_setup.f90, 1.77, 1.78 phqscf.f90, 1.34, 1.35 psym_dmag.f90, 1.11, 1.12 psym_dmage.f90, 1.10, 1.11 psymdvscf.f90, 1.17, 1.18 psyme.f90, 1.17, 1.18 punch_plot_e.f90, 1.32, 1.33 punch_plot_ph.f90, 1.28, 1.29 set_dvscf.f90, 1.10, 1.11 setup_dgc.f90, 1.24, 1.25 solve_e.f90, 1.89, 1.90 solve_e2.f90, 1.41, 1.42 solve_e_fpol.f90, 1.28, 1.29 solve_linter.f90, 1.107, 1.108 write_rec.f90, 1.14, 1.15 zstar_eu_us.f90, 1.34, 1.35
dalcorso at qe-forge.org
- [Q-e-commits] espresso/PW paw_onecenter.f90,1.54,1.55
degironc at qe-forge.org
- [Q-e-commits] espresso/Doc release-notes,1.63,1.64
giannozz at qe-forge.org
- [Q-e-commits] espresso/GIPAW init_gipaw_2.f90, 1.4, 1.5 init_us_2_no_phase.f90, 1.8, 1.9
giannozz at qe-forge.org
- [Q-e-commits] espresso/GWW/pw4gww calculate_wing.f90, 1.3, 1.4 dft_exchange.f90, 1.4, 1.5 pw4gww.f90, 1.9, 1.10
giannozz at qe-forge.org
- [Q-e-commits] espresso/PH addcore.f90, 1.14, 1.15 addusddens.f90, 1.29, 1.30 addusddense.f90, 1.21, 1.22 addusldos.f90, 1.20, 1.21 compute_dvloc.f90, 1.14, 1.15 dvanqq.f90, 1.33, 1.34 dvqpsi_us.f90, 1.25, 1.26 newdq.f90, 1.28, 1.29
giannozz at qe-forge.org
- [Q-e-commits] espresso/PP addusdens1d.f90, 1.21, 1.22 atomic_wfc_nc_proj.f90, 1.9, 1.10 pw_export.f90, 1.37, 1.38
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW addusdens.f90, 1.35, 1.36 addusforce.f90, 1.29, 1.30 addusstress.f90, 1.23, 1.24 allocate_fft.f90, 1.38, 1.39 atomic_wfc.f90, 1.27, 1.28 clean_pw.f90, 1.65, 1.66 gen_at_dj.f90, 1.19, 1.20 gen_at_dy.f90, 1.18, 1.19 gen_us_dj.f90, 1.26, 1.27 gen_us_dy.f90, 1.23, 1.24 ggen.f90, 1.34, 1.35 init_us_2.f90, 1.20, 1.21 newd.f90, 1.53, 1.54 pw_restart.f90, 1.132, 1.133 pwcom.f90, 1.167, 1.168
giannozz at qe-forge.org
- [Q-e-commits] espresso/XSpectra xspectra.f90,1.25,1.26
giannozz at qe-forge.org
- [Q-e-commits] espresso/doc-def INPUT_PP.def,1.10,1.11
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV cp_fpmd.f90, 1.69, 1.70 cplib.f90, 1.204, 1.205 efield.f90, 1.13, 1.14 spline.f90, 1.7, 1.8
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW kernel_table.f90, 1.4, 1.5 ms2.f90, 1.2, 1.3 plugin_initialization.f90, 1.1, 1.2 realus.f90, 1.62, 1.63 summary.f90, 1.92, 1.93
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules plugin_arguments.f90,1.2,1.3
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules input_parameters.f90, 1.202, 1.203 plugin_arguments.f90, 1.5, 1.6 pseudo_types.f90, 1.45, 1.46 read_upf_v2.f90, 1.19, 1.20 read_uspp.f90, 1.23, 1.24 sic.f90, 1.6, 1.7 xml_io_base.f90, 1.90, 1.91
giannozz at qe-forge.org
- [Q-e-commits] espresso/GIPAW compute_sigma.f90, 1.17, 1.18 compute_u_kq.f90, 1.18, 1.19 g_tensor_crystal.f90, 1.25, 1.26 gipaw_module.f90, 1.42, 1.43 greenfunction.f90, 1.14, 1.15 suscept_crystal.f90, 1.27, 1.28 test_sum_rule.f90, 1.11, 1.12 write_tensor_field.f90, 1.9, 1.10
giannozz at qe-forge.org
- [Q-e-commits] espresso/GIPAW suscept_crystal.f90,1.28,1.29
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules make.depend, 1.90, 1.91 plugin_arguments.f90, 1.6, 1.7
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW dynamics_module.f90,1.39,1.40
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules mp_global.f90,1.42,1.43
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW make.depend, 1.186, 1.187 sum_band.f90, 1.100, 1.101
giannozz at qe-forge.org
- [Q-e-commits] espresso/Doc release-notes, 1.64, 1.65 user_guide.tex, 1.53, 1.54
giannozz at qe-forge.org
- [Q-e-commits] espresso/PH elphon.f90, 1.58, 1.59 lambda.f90, 1.3, 1.4 make.depend, 1.91, 1.92
giannozz at qe-forge.org
- [Q-e-commits] espresso TODO,1.148,1.149
giannozz at qe-forge.org
- [Q-e-commits] espresso/Doc release-notes,1.65,1.66
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules funct.f90,1.9,1.10
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV make.depend,1.106,1.107
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW pw_restart.f90,1.133,1.134
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV cp_fpmd.f90, 1.70, 1.71 cp_restart.f90, 1.103, 1.104 cpr.f90, 1.216, 1.217 fromscra.f90, 1.67, 1.68 gtable.f90, 1.14, 1.15 modules.f90, 1.75, 1.76 phasefactor.f90, 1.17, 1.18 potentials.f90, 1.68, 1.69 qqberry.f90, 1.30, 1.31 restart_sub.f90, 1.81, 1.82 wf.f90, 1.60, 1.61
giannozz at qe-forge.org
- [Q-e-commits] espresso/Doc release-notes,1.66,1.67
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules recvec.f90,1.29,1.30
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV cp_fpmd.f90, 1.71, 1.72 cp_restart.f90, 1.104, 1.105
giannozz at qe-forge.org
- [Q-e-commits] espresso/Doc release-notes,1.67,1.68
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules recvec.f90,1.30,1.31
giannozz at qe-forge.org
- [Q-e-commits] espresso/tests check-pw.x.j,1.17,1.18
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW makov_payne.f90,1.14,1.15
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV makov_payne.f90,1.3,1.4
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV cp_fpmd.f90, 1.72, 1.73 gvecb.f90, 1.1, 1.2
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules recvec.f90,1.31,1.32
giannozz at qe-forge.org
- [Q-e-commits] espresso/Doc release-notes,1.68,1.69
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV chargedensity.f90, 1.69, 1.70 cp_fpmd.f90, 1.73, 1.74 cplib.f90, 1.205, 1.206 cplib_meta.f90, 1.24, 1.25 exch_corr.f90, 1.56, 1.57 fft.f90, 1.40, 1.41 gradrho.f90, 1.10, 1.11 nlcc.f90, 1.34, 1.35 vol_clu.f90, 1.15, 1.16
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules recvec.f90,1.32,1.33
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules recvec.f90,1.33,1.34
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV chargedensity.f90, 1.70, 1.71 cp_fpmd.f90, 1.74, 1.75 cplib.f90, 1.206, 1.207 cplib_meta.f90, 1.25, 1.26 fft.f90, 1.41, 1.42 forces.f90, 1.45, 1.46
giannozz at qe-forge.org
- [Q-e-commits] espresso/Doc release-notes,1.69,1.70
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules recvec.f90,1.34,1.35
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV chargedensity.f90, 1.71, 1.72 cp_fpmd.f90, 1.75, 1.76 cplib.f90, 1.207, 1.208 cplib_meta.f90, 1.26, 1.27 dealloc.f90, 1.30, 1.31 exch_corr.f90, 1.57, 1.58 fft.f90, 1.42, 1.43 gradrho.f90, 1.11, 1.12 nlcc.f90, 1.35, 1.36 vol_clu.f90, 1.16, 1.17
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules recvec.f90,1.35,1.36
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV cp_fpmd.f90, 1.76, 1.77 cp_restart.f90, 1.105, 1.106 efield.f90, 1.14, 1.15 gtable.f90, 1.15, 1.16 init.f90, 1.56, 1.57 init_run.f90, 1.62, 1.63 mainvar.f90, 1.45, 1.46 wave.f90, 1.36, 1.37
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules clocks.f90,1.36,1.37
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules recvec.f90,1.36,1.37
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV cp_fpmd.f90, 1.77, 1.78 cp_restart.f90, 1.106, 1.107 cplib.f90, 1.208, 1.209 dealloc.f90, 1.31, 1.32 nlcc.f90, 1.36, 1.37 problem_size.f90, 1.16, 1.17 wave.f90, 1.37, 1.38
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV makov_payne.f90,1.4,1.5
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW makov_payne.f90,1.15,1.16
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW allocate_fft.f90, 1.39, 1.40 clean_pw.f90, 1.66, 1.67 ggen.f90, 1.35, 1.36 pwcom.f90, 1.168, 1.169
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW clean_pw.f90, 1.67, 1.68 ggen.f90, 1.36, 1.37 pwcom.f90, 1.169, 1.170
giannozz at qe-forge.org
- [Q-e-commits] espresso/PH write_dyn_on_file.f90,1.5,1.6
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules constraints_module.f90,1.60,1.61
giannozz at qe-forge.org
- [Q-e-commits] espresso TODO,1.149,1.150 Makefile,1.181,1.182
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW input.f90, 1.327, 1.328 martyna_tuckerman.f90, 1.7, 1.8 pw_restart.f90, 1.134, 1.135 pwcom.f90, 1.170, 1.171 read_file.f90, 1.93, 1.94 setup.f90, 1.196, 1.197 summary.f90, 1.93, 1.94
giannozz at qe-forge.org
- [Q-e-commits] espresso/PP average.f90, 1.37, 1.38 elf.f90, 1.30, 1.31 plan_avg.f90, 1.36, 1.37 projwfc.f90, 1.104, 1.105 punch_plot.f90, 1.56, 1.57
giannozz at qe-forge.org
- [Q-e-commits] espresso/PH phq_summary.f90, 1.49, 1.50 punch_plot_e.f90, 1.29, 1.30 punch_plot_ph.f90, 1.25, 1.26
giannozz at qe-forge.org
- [Q-e-commits] espresso/GIPAW compute_u_kq.f90, 1.19, 1.20 efg.f90, 1.21, 1.22 g_tensor_crystal.f90, 1.26, 1.27 suscept_crystal.f90, 1.29, 1.30 test_sum_rule.f90, 1.12, 1.13
giannozz at qe-forge.org
- [Q-e-commits] espresso/GWW/pw4gww dft_exchange.f90, 1.5, 1.6 energies_xc.f90, 1.9, 1.10 product_wannier.f90, 1.8, 1.9 product_wannier_para.f90, 1.8, 1.9 product_wannier_para_c.f90, 1.7, 1.8 real_wfc.f90, 1.2, 1.3 rotate_wannier.f90, 1.3, 1.4 wannier_pmat_terms_ggrid.f90, 1.5, 1.6 wannier_uterms.f90, 1.6, 1.7 wannier_uterms_c.f90, 1.5, 1.6 wannier_valence_terms.f90, 1.6, 1.7
giannozz at qe-forge.org
- [Q-e-commits] espresso/GWW/head phq_init.f90,1.6,1.7
giannozz at qe-forge.org
- [Q-e-commits] espresso/Gamma rhod2vkb.f90,1.25,1.26
giannozz at qe-forge.org
- [Q-e-commits] espresso/PH phq_init.f90, 1.56, 1.57 phq_summary.f90, 1.50, 1.51 punch_plot_e.f90, 1.30, 1.31 punch_plot_ph.f90, 1.26, 1.27
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW allocate_fft.f90, 1.40, 1.41 allocate_nlpot.f90, 1.49, 1.50 bp_c_phase.f90, 1.47, 1.48 c_phase_field.f90, 1.26, 1.27 compute_becsum.f90, 1.13, 1.14 data_structure.f90, 1.50, 1.51 electrons.f90, 1.221, 1.222 exx.f90, 1.56, 1.57 forces_bp_efield.f90, 1.9, 1.10 h_epsi_her_set.f90, 1.23, 1.24 hinit0.f90, 1.26, 1.27 input.f90, 1.328, 1.329 martyna_tuckerman.f90, 1.8, 1.9 pw_restart.f90, 1.135, 1.136 pwcom.f90, 1.171, 1.172 read_file.f90, 1.94, 1.95 realus.f90, 1.63, 1.64 setup.f90, 1.197, 1.198 summary.f90, 1.94, 1.95
giannozz at qe-forge.org
- [Q-e-commits] espresso/PWCOND init_cond.f90,1.22,1.23
giannozz at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/Examples make.sys,1.6,1.7
giannozz at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/src lr_init_nfo.f90, 1.3, 1.4 lr_read_wf.f90, 1.18, 1.19
giannozz at qe-forge.org
- [Q-e-commits] espresso/VdW check_v_eff.f90, 1.17, 1.18 eff_pot.f90, 1.12, 1.13
giannozz at qe-forge.org
- [Q-e-commits] espresso/PP add_shift_us.f90, 1.11, 1.12 average.f90, 1.38, 1.39 chdens.f90, 1.72, 1.73 elf.f90, 1.31, 1.32 epsilon.f90, 1.17, 1.18 local_dos.f90, 1.48, 1.49 local_dos_mag.f90, 1.12, 1.13 plan_avg.f90, 1.37, 1.38 punch_plot.f90, 1.57, 1.58 pw2casino_write.f90, 1.35, 1.36 pw2gw.f90, 1.33, 1.34 pw2wannier90.f90, 1.62, 1.63 stm.f90, 1.36, 1.37 sym_band.f90, 1.29, 1.30 wannier_ham.f90, 1.10, 1.11 wannier_plot.f90, 1.14, 1.15 write_p_avg.f90, 1.12, 1.13
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW pwcom.f90,1.172,1.173
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules recvec.f90,1.37,1.38
giannozz at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/Examples make.sys,1.7,1.8
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV cp_fpmd.f90, 1.78, 1.79 stress.f90, 1.39, 1.40
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules recvec.f90,1.38,1.39
giannozz at qe-forge.org
- [Q-e-commits] espresso/PH hdiag.f90,1.9,1.10
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW g2_kin.f90, 1.3, 1.4 input.f90, 1.329, 1.330 pwcom.f90, 1.173, 1.174 stres_knl.f90, 1.21, 1.22 summary.f90, 1.95, 1.96
giannozz at qe-forge.org
- [Q-e-commits] espresso/VdW check_v_eff.f90, 1.18, 1.19 eff_pot.f90, 1.13, 1.14
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW make.depend, 1.188, 1.189 pwcom.f90, 1.174, 1.175
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules recvec.f90,1.39,1.40
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV Makefile, 1.149, 1.150 cpr.f90, 1.217, 1.218 fromscra.f90, 1.68, 1.69 init.f90, 1.57, 1.58 init_run.f90, 1.63, 1.64 mainvar.f90, 1.46, 1.47 make.depend, 1.107, 1.108 move_electrons.f90, 1.35, 1.36 restart_sub.f90, 1.82, 1.83 vanderwaals.f90, 1.12, NONE
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules berry_phase.f90, 1.9, 1.10 recvec.f90, 1.40, 1.41
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW allocate_bp_efield.f90, 1.7, 1.8 allocate_fft.f90, 1.41, 1.42 c_phase_field.f90, 1.27, 1.28 clean_pw.f90, 1.68, 1.69 data_structure.f90, 1.51, 1.52 electrons.f90, 1.222, 1.223 exx.f90, 1.57, 1.58 forces_bp_efield.f90, 1.10, 1.11 ggen.f90, 1.37, 1.38 h_psi_meta.f90, 1.8, 1.9 hinit1.f90, 1.19, 1.20 input.f90, 1.330, 1.331 interpolate.f90, 1.15, 1.16 make.depend, 1.189, 1.190 martyna_tuckerman.f90, 1.9, 1.10 mix_rho.f90, 1.90, 1.91 potinit.f90, 1.66, 1.67 pw_restart.f90, 1.136, 1.137 pwcom.f90, 1.175, 1.176 read_file.f90, 1.95, 1.96 realus.f90, 1.64, 1.65 scf_mod.f90, 1.34, 1.35 set_fft_dim.f90, 1.11, 1.12 setup.f90, 1.198, 1.199 sum_band.f90, 1.101, 1.102 summary.f90, 1.96, 1.97 v_of_rho.f90, 1.54, 1.55 vloc_psi.f90, 1.29, 1.30
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV gvecw.f90, NONE, 1.1 Makefile, 1.150, 1.151 cg_sub.f90, 1.79, 1.80 cglib.f90, 1.39, 1.40 chargedensity.f90, 1.72, 1.73 cp_fpmd.f90, 1.79, 1.80 cp_interfaces.f90, 1.36, 1.37 cp_restart.f90, 1.107, 1.108 cplib.f90, 1.209, 1.210 cplib_meta.f90, 1.27, 1.28 cpr.f90, 1.218, 1.219 cprsub.f90, 1.117, 1.118 dealloc.f90, 1.32, 1.33 exch_corr.f90, 1.58, 1.59 fft.f90, 1.43, 1.44 fromscra.f90, 1.69, 1.70 gradrho.f90, 1.12, 1.13 gtable.f90, 1.16, 1.17 init.f90, 1.58, 1.59 init_run.f90, 1.64, 1.65 inner_loop_cold.f90, 1.21, 1.22 make.depend, 1.108, 1.109 move_electrons.f90, 1.36, 1.37 nl_base.f90, 1.37, 1.38 nlcc.f90, 1.37, 1.38 ortho_base.f90, 1.61, 1.62 phasefactor.f90, 1.18, 1.19 potentials.f90, 1.69, 1.70 problem_size.f90, 1.17, 1.18 pseudopot_sub.f90, 1.24, 1.25 qmatrixd.f90, 1.14, 1.15 qqberry.f90, 1.31, 1.32 restart_sub.f90, 1.83, 1.84 runcp.f90, 1.59, 1.60 stop_run.f90, 1.18, 1.19 stress.f90, 1.40, 1.41 vol_clu.f90, 1.17, 1.18 wannier.f90, 1.38, 1.39 wave.f90, 1.38, 1.39 wf.f90, 1.61, 1.62
giannozz at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/src lr_apply_liouvillian.f90, 1.24, 1.25 lr_calc_dens.f90, 1.18, 1.19 lr_h_psiq.f90, 1.10, 1.11 lr_read_wf.f90, 1.19, 1.20 lr_readin.f90, 1.18, 1.19
giannozz at qe-forge.org
- [Q-e-commits] espresso/VdW check_v_eff.f90, 1.19, 1.20 eff_pot.f90, 1.14, 1.15
giannozz at qe-forge.org
- [Q-e-commits] espresso/XSpectra read_file_xspectra.f90, 1.9, 1.10 xspectra.f90, 1.26, 1.27
giannozz at qe-forge.org
- [Q-e-commits] espresso/PH cft_wave.f90, 1.7, 1.8 compute_drhous.f90, 1.25, 1.26 compute_drhous_nc.f90, 1.12, 1.13 compute_dvloc.f90, 1.15, 1.16 drho.f90, 1.41, 1.42 dvpsi_e2.f90, 1.17, 1.18 dvqpsi_us.f90, 1.26, 1.27 elphon.f90, 1.59, 1.60 h_psiq.f90, 1.22, 1.23 incdrhoscf.f90, 1.24, 1.25 incdrhoscf_nc.f90, 1.11, 1.12 incdrhous.f90, 1.23, 1.24 incdrhous_nc.f90, 1.14, 1.15 localdos.f90, 1.35, 1.36 phq_setup.f90, 1.76, 1.77 phq_summary.f90, 1.51, 1.52 punch_plot_e.f90, 1.31, 1.32 punch_plot_ph.f90, 1.27, 1.28 set_dvscf.f90, 1.9, 1.10 solve_e.f90, 1.88, 1.89 solve_e2.f90, 1.40, 1.41 solve_e_fpol.f90, 1.27, 1.28 solve_e_nscf.f90, 1.9, 1.10 solve_linter.f90, 1.106, 1.107 write_rec.f90, 1.13, 1.14 zstar_eu_us.f90, 1.33, 1.34
giannozz at qe-forge.org
- [Q-e-commits] espresso/PP average.f90, 1.39, 1.40 chdens.f90, 1.73, 1.74 compute_sigma_avg.f90, 1.17, 1.18 elf.f90, 1.32, 1.33 local_dos.f90, 1.49, 1.50 local_dos1d.f90, 1.25, 1.26 local_dos_mag.f90, 1.13, 1.14 plan_avg.f90, 1.38, 1.39 projwfc.f90, 1.105, 1.106 punch_plot.f90, 1.58, 1.59 pw2wannier90.f90, 1.63, 1.64 wannier_plot.f90, 1.15, 1.16
giannozz at qe-forge.org
- [Q-e-commits] espresso/D3 dvdpsi.f90,1.18,1.19
giannozz at qe-forge.org
- [Q-e-commits] espresso/GIPAW gipaw_module.f90, 1.43, 1.44 h_psiq.f90, 1.11, 1.12
giannozz at qe-forge.org
- [Q-e-commits] espresso/GWW/head solve_head.f90,1.11,1.12
giannozz at qe-forge.org
- [Q-e-commits] espresso/GWW/pw4gww cprim.f90, 1.6, 1.7 dft_exchange.f90, 1.6, 1.7 energies_xc.f90, 1.10, 1.11 product_wannier.f90, 1.9, 1.10 product_wannier_para.f90, 1.9, 1.10 product_wannier_para_c.f90, 1.8, 1.9 ultra_external.f90, 1.9, 1.10 ultralocalization.f90, 1.8, 1.9 ultralocalization_para.f90, 1.8, 1.9 wannier_valence_terms.f90, 1.7, 1.8 wfc_real.f90, 1.7, 1.8
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules recvec.f90,1.41,1.42
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules fft_scalar.f90, 1.73, 1.74 griddim.f90, 1.17, 1.18
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV Makefile, 1.151, 1.152 cp_fpmd.f90, 1.80, 1.81 gvecb.f90, 1.2, 1.3 init.f90, 1.59, 1.60 make.depend, 1.109, 1.110
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV boxgrid.f90,NONE,1.1
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules griddim.f90,1.18,1.19
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV init.f90,1.60,1.61
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules griddim.f90,1.20,1.21
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV init.f90,1.62,1.63
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW Makefile, 1.257, 1.258 input.f90, 1.331, 1.332 make.depend, 1.190, 1.191 setup.f90, 1.199, 1.200 set_fft_dim.f90, 1.12, NONE
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW input.f90,1.332,1.333
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules Makefile, 1.115, 1.116 griddim.f90, 1.21, 1.22 make.depend, 1.91, 1.92 stick_base.f90, 1.28, 1.29 smallbox.f90, 1.8, NONE
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV smallbox.f90, NONE, 1.1 Makefile, 1.152, 1.153 init.f90, 1.63, 1.64 make.depend, 1.110, 1.111
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW data_structure.f90,1.52,1.53
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV cp_restart.f90, 1.109, 1.110 potentials.f90, 1.71, 1.72
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules griddim.f90, 1.22, 1.23 recvec.f90, 1.42, 1.43 stick_base.f90, 1.29, 1.30
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW data_structure.f90,1.53,1.54
giannozz at qe-forge.org
- [Q-e-commits] espresso/CPV gvecw.f90,1.2,1.3 init.f90,1.65,1.66
giannozz at qe-forge.org
- [Q-e-commits] espresso/Modules recvec.f90,1.43,1.44
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW data_structure.f90,1.54,1.55
giannozz at qe-forge.org
- [Q-e-commits] espresso/PW paw_onecenter.f90,1.53,1.54
kucukben at qe-forge.org
- [Q-e-commits] espresso/install plugins_makefile,1.1,1.2
marsamos at qe-forge.org
- [Q-e-commits] espresso Makefile,1.178,1.179
marsamos at qe-forge.org
- [Q-e-commits] espresso/archive PLUMED-latest.tar.gz,1.1,1.2
marsamos at qe-forge.org
- [Q-e-commits] espresso/Modules plugin_arguments.f90,1.1,1.2
marsamos at qe-forge.org
- [Q-e-commits] espresso/PW pwscf.f90,1.75,1.76
marsamos at qe-forge.org
- [Q-e-commits] espresso/PW pwscf.f90,1.76,1.77
marsamos at qe-forge.org
- [Q-e-commits] espresso/Modules plugin_arguments.f90,1.3,1.4
marsamos at qe-forge.org
- [Q-e-commits] espresso/Modules plugin_arguments.f90,1.4,1.5
marsamos at qe-forge.org
- [Q-e-commits] espresso/PW pwscf.f90,1.77,1.78
marsamos at qe-forge.org
- [Q-e-commits] espresso Makefile,1.179,1.180
marsamos at qe-forge.org
- [Q-e-commits] espresso/CPV cprstart.f90,1.59,1.60
marsamos at qe-forge.org
- [Q-e-commits] espresso/extlibs/archive iotk-1.1.beta.tar.gz, 1.2, NONE
marsamos at qe-forge.org
- [Q-e-commits] espresso Makefile,1.180,1.181
marsamos at qe-forge.org
- [Q-e-commits] espresso/examples/example17 run_example,1.20,1.21
marsamos at qe-forge.org
- [Q-e-commits] espresso/Modules clocks.f90, 1.37, 1.38 input_parameters.f90, 1.203, 1.204 io_files.f90, 1.53, 1.54 read_cards.f90, 1.115, 1.116 read_namelists.f90, 1.211, 1.212 read_xml_cards.f90, 1.3, 1.4 read_xml_fields.f90, 1.5, 1.6
marsamos at qe-forge.org
- [Q-e-commits] espresso/PW electrons.f90, 1.220, 1.221 input.f90, 1.326, 1.327 make.depend, 1.187, 1.188 pwscf.f90, 1.78, 1.79
marsamos at qe-forge.org
- [Q-e-commits] espresso/NEB Makefile, 1.8, 1.9 compute_scf.f90, 1.3, 1.4 input.f90, 1.4, 1.5 make.depend, 1.8, 1.9 path_base.f90, 1.3, 1.4 path_int.f90, 1.1, 1.2 path_io_routines.f90, 1.2, 1.3 path_opt_routines.f90, 1.1, 1.2 path_reparametrisation.f90, 1.1, 1.2 set_defaults.f90, 1.2, 1.3 string_methods.f90, 1.5, 1.6
marsamos at qe-forge.org
- [Q-e-commits] espresso/NEB io_tools.f90, NONE, 1.1 path_input_parameters_module.f90, NONE, 1.1 path_io_units_module.f90, NONE, 1.1 path_read_cards_module.f90, NONE, 1.1 path_read_namelists_module.f90, NONE, 1.1
marsamos at qe-forge.org
- [Q-e-commits] espresso/PW pwscf.f90,1.79,1.80
marsamos at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/src make.depend, 1.8, 1.9 lr_calculate_spectrum.f90, 1.1, NONE
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/tools tddfpt_calculate_spectrum.f90, 1.25, 1.26
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/src lr_alloc_init.f90, 1.14, 1.15 lr_main.f90, 1.29, 1.30 lr_readin.f90, 1.15, 1.16
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/tools tddfpt_calculate_spectrum.f90, 1.26, 1.27
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/src lr_alloc_init.f90, 1.15, 1.16 lr_apply_liouvillian.f90, 1.23, 1.24 lr_calc_dens.f90, 1.17, 1.18 lr_charg_resp.f90, 1.17, 1.18 lr_lanczos.f90, 1.18, 1.19 lr_main.f90, 1.30, 1.31 lr_readin.f90, 1.16, 1.17 lr_restart.f90, 1.12, 1.13 lr_write_restart.f90, 1.9, 1.10 print_clock_lr.f90, 1.5, 1.6 stop_lr.f90, 1.4, 1.5
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/tools tddfpt_calculate_spectrum.f90, 1.27, 1.28
obm at qe-forge.org
- [Q-e-commits] espresso/PP local_dos.f90,1.47,1.48
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/src lr_charg_resp.f90, 1.18, 1.19 lr_main.f90, 1.31, 1.32 lr_readin.f90, 1.17, 1.18 lr_restart.f90, 1.13, 1.14 lr_variables.f90, 1.11, 1.12 lr_write_restart.f90, 1.10, 1.11 stop_lr.f90, 1.5, 1.6
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/Examples README, 1.1, 1.2 make.sys, 1.4, 1.5 Makefile, 1.2, 1.3
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/Examples/CH4 CH4.tddfpt_pp-in, 1.3, 1.4
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/Examples/SiH4 SiH4.tddfpt_pp-in, 1.2, 1.3
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/Examples/CH4-PR CH4-PR.tddfpt-in-s2, NONE, 1.1 CH4-PR.pw-in, 1.1, 1.2 CH4-PR.tddfpt_pp-in, 1.1, 1.2 Makefile, 1.1, 1.2
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/Examples/Benzene Benzene.tddfpt_pp-in, 1.1, 1.2
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/src Makefile,1.21,1.22
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/tools Makefile, 1.8, 1.9 tddfpt_calculate_spectrum.f90, 1.28, 1.29
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/tools tddfpt_calculate_spectrum.f90, 1.29, 1.30
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/Examples/CH4 CH4.tddfpt-ref,1.1,1.2
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/Examples/SiH4 SiH4.tddfpt-ref, 1.1, 1.2
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/Examples/CH4-PR Makefile,1.2,1.3
obm at qe-forge.org
- [Q-e-commits] espresso/TDDFPT/Examples make.sys,1.5,1.6
obm at qe-forge.org
- [Q-e-commits] espresso/PW xc_vdW_DF.f90,1.6,1.7
riccardo at qe-forge.org
- [Q-e-commits] espresso/PP projwfc.f90,1.103,1.104
sclauzer at qe-forge.org
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Archived on: Fri Dec 31 14:18:25 CET 2010
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