2003-01-20 05:58:50 +08:00
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# Makefile for PW
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2003-12-02 23:47:00 +08:00
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2003-01-20 05:58:50 +08:00
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include ../make.sys
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2003-12-02 23:47:00 +08:00
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PWOBJS = \
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2005-12-28 18:49:03 +08:00
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a2fmod.o \
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2005-03-29 17:05:42 +08:00
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add_bfield.o \
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2003-04-03 23:35:36 +08:00
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add_efield.o \
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2003-12-02 23:47:00 +08:00
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add_vuspsi.o \
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2005-01-06 00:26:09 +08:00
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add_vuspsi_nc.o \
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2003-12-02 23:47:00 +08:00
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addusdens.o \
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addusforce.o \
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addusstress.o \
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allocate_fft.o \
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allocate_locpot.o \
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allocate_nlpot.o \
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allocate_wfc.o \
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atomic_rho.o \
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atomic_wfc.o \
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2005-01-06 00:26:09 +08:00
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atomic_wfc_nc.o \
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2006-09-13 22:38:46 +08:00
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average_pp.o \
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2003-12-02 23:47:00 +08:00
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becmod.o \
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2003-06-12 04:07:53 +08:00
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bp_c_phase.o \
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2003-12-02 23:47:00 +08:00
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bp_calc_btq.o \
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2003-06-12 04:07:53 +08:00
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bp_qvan3.o \
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bp_radin.o \
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bp_strings.o \
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bp_ylm_q.o \
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2007-02-21 21:01:31 +08:00
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buffers.o \
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2003-12-02 23:47:00 +08:00
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c_bands.o \
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2005-08-16 20:04:34 +08:00
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c_phase_field.o \
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2003-12-02 23:47:00 +08:00
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ccalbec.o \
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2005-01-06 00:26:09 +08:00
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ccalbec_nc.o \
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2003-12-02 23:47:00 +08:00
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ccgdiagg.o \
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cdiagh.o \
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cdiaghg.o \
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cegterg.o \
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cft3.o \
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cft3s.o \
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checkallsym.o \
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checksym.o \
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cinitcgg.o \
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clean_pw.o \
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2003-12-10 23:11:06 +08:00
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close_files.o \
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2003-12-02 23:47:00 +08:00
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compute_dip.o \
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2005-01-06 00:26:09 +08:00
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compute_rho.o \
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2007-09-03 15:03:01 +08:00
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compute_rho_new.o \
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2005-06-07 01:53:32 +08:00
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compute_fes_grads.o \
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2004-03-15 08:08:26 +08:00
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compute_scf.o \
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2006-12-06 18:39:16 +08:00
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compute_qdipol.o \
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compute_qdipol_so.o \
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2007-09-03 15:03:01 +08:00
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compute_ux.o \
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2003-12-02 23:47:00 +08:00
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coset.o \
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cryst_to_car.o \
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cubicsym.o \
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d_matrix.o \
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data_structure.o \
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davcio.o \
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deriv_drhoc.o \
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2006-08-09 16:20:53 +08:00
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divide_class.o \
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2006-08-23 01:01:13 +08:00
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divide_class_so.o \
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2005-11-30 23:49:59 +08:00
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realus.o \
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2003-12-02 23:47:00 +08:00
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diropn.o \
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divide.o \
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divide_et_impera.o \
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dndepsilon.o \
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2004-11-01 18:38:11 +08:00
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dndtau_of_k.o \
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2003-12-02 23:47:00 +08:00
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dprojdepsilon.o \
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dprojdtau.o \
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dqvan2.o \
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drhoc.o \
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dvloc_of_g.o \
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2006-01-14 01:25:42 +08:00
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dynamics_module.o \
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2003-12-02 23:47:00 +08:00
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efermig.o \
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efermit.o \
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electrons.o \
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eqvect.o \
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error_handler.o \
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ewald.o \
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2004-02-26 21:48:25 +08:00
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ewald_dipole.o \
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2005-05-19 20:25:25 +08:00
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exx.o \
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2006-07-31 17:05:10 +08:00
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find_group.o \
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2003-12-02 23:47:00 +08:00
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force_cc.o \
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force_corr.o \
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force_ew.o \
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force_hub.o \
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force_lc.o \
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force_us.o \
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forces.o \
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g_psi.o \
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g_psi_mod.o \
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gen_at_dj.o \
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gen_at_dy.o \
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gen_us_dj.o \
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gen_us_dy.o \
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2005-01-06 00:26:09 +08:00
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get_locals.o \
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2003-12-02 23:47:00 +08:00
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ggen.o \
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gk_sort.o \
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gradcorr.o \
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gweights.o \
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2007-01-31 23:51:32 +08:00
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g2_kin.o \
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2006-12-16 07:18:19 +08:00
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h_epsi_her_apply.o \
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h_epsi_her_set.o \
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2003-12-02 23:47:00 +08:00
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h_1psi.o \
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h_psi.o \
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2005-01-06 00:26:09 +08:00
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h_psi_nc.o \
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2007-02-14 05:39:20 +08:00
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h_psi_meta.o \
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2003-12-02 23:47:00 +08:00
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hexsym.o \
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hinit0.o \
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hinit1.o \
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init_ns.o \
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2004-02-26 21:48:25 +08:00
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init_paw_1.o \
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init_paw_2.o \
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2003-12-02 23:47:00 +08:00
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init_run.o \
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init_us_1.o \
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init_us_2.o \
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2004-01-24 22:44:20 +08:00
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init_at_1.o \
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2003-12-02 23:47:00 +08:00
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init_vloc.o \
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input.o \
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interpolate.o \
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2005-10-21 21:01:42 +08:00
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inverse_s.o \
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2006-05-03 21:36:18 +08:00
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io_rho_xml.o \
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2003-12-02 23:47:00 +08:00
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ions.o \
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irrek.o \
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iweights.o \
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kpoint_grid.o \
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lchk_tauxk.o \
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2004-05-31 20:54:27 +08:00
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make_pointlists.o \
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2007-03-12 21:50:45 +08:00
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makov_payne.o \
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2007-07-10 22:29:04 +08:00
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memory_report.o \
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2003-12-02 23:47:00 +08:00
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mix_pot.o \
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mix_rho.o \
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mode_group.o \
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move_ions.o \
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multable.o \
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n_plane_waves.o \
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new_ns.o \
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2004-02-14 16:39:34 +08:00
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ns_adj.o \
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2003-12-02 23:47:00 +08:00
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newd.o \
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noncol.o \
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2007-01-24 01:31:15 +08:00
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non_scf.o \
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2003-12-02 23:47:00 +08:00
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openfil.o \
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orthoatwfc.o \
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output_tau.o \
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para.o \
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2004-02-26 23:33:58 +08:00
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paw.o \
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2003-12-02 23:47:00 +08:00
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potinit.o \
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print_clock_pw.o \
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2007-01-31 01:01:47 +08:00
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print_ks_energies.o \
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2003-12-02 23:47:00 +08:00
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psymrho.o \
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2005-01-06 00:26:09 +08:00
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psymrho_mag.o \
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2003-12-02 23:47:00 +08:00
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punch.o \
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2003-12-10 23:11:06 +08:00
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pw_gemm.o \
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2005-06-28 23:50:30 +08:00
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pw_restart.o \
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2003-12-02 23:47:00 +08:00
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pwcom.o \
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qvan2.o \
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2005-03-30 22:37:55 +08:00
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rcgdiagg.o \
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2006-02-04 01:31:58 +08:00
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rdiagh.o \
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2003-12-10 23:11:06 +08:00
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rdiaghg.o \
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2003-12-02 23:47:00 +08:00
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read_conf_from_file.o \
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read_file.o \
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read_ncpp.o \
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2007-03-19 03:24:56 +08:00
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read_pseudo.o \
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2003-12-10 23:11:06 +08:00
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regterg.o \
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2003-12-02 23:47:00 +08:00
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remove_atomic_rho.o \
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2005-01-06 00:26:09 +08:00
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report_mag.o \
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2003-12-10 23:11:06 +08:00
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reset_k_points.o \
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2003-12-02 23:47:00 +08:00
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restart_from_file.o \
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restart_in_electrons.o \
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restart_in_ions.o \
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rgen.o \
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rho2zeta.o \
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2005-03-30 22:37:55 +08:00
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rinitcgg.o \
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2003-12-02 23:47:00 +08:00
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rotate_wfc.o \
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2003-12-10 23:11:06 +08:00
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rotate_wfc_gamma.o \
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2005-01-06 00:26:09 +08:00
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rotate_wfc_nc.o \
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2003-12-02 23:47:00 +08:00
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ruotaijk.o \
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s_1psi.o \
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s_axis_to_ca.o \
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s_psi.o \
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2005-01-06 00:26:09 +08:00
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s_psi_nc.o \
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2003-12-02 23:47:00 +08:00
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save_in_cbands.o \
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save_in_electrons.o \
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save_in_ions.o \
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scale_h.o \
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seqopn.o \
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set_fft_dim.o \
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set_hubbard_l.o \
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set_kplusq.o \
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set_kup_and_kdw.o \
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set_rhoc.o \
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set_vrs.o \
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setlocal.o \
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setqf.o \
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setup.o \
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setupkpt.o \
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sgam_at.o \
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2004-05-22 00:19:20 +08:00
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sgam_at_mag.o \
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2003-12-02 23:47:00 +08:00
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sgam_ph.o \
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sgama.o \
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smallg_q.o \
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2004-04-30 22:58:05 +08:00
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spinor.o \
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sph_ind.o \
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2003-12-02 23:47:00 +08:00
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startup.o \
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2005-07-11 07:48:37 +08:00
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stop_run.o \
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2003-12-02 23:47:00 +08:00
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stres_cc.o \
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stres_ewa.o \
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stres_gradcorr.o \
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stres_har.o \
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stres_hub.o \
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stres_knl.o \
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stres_loc.o \
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stres_us.o \
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stress.o \
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struct_fact.o \
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sum_band.o \
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sumkg.o \
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sumkt.o \
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summary.o \
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2006-10-02 17:37:35 +08:00
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symmetrize_at.o \
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2003-12-02 23:47:00 +08:00
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symrho.o \
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2005-01-06 00:26:09 +08:00
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symrho_mag.o \
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2004-10-07 21:31:54 +08:00
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symscalar.o \
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2003-12-02 23:47:00 +08:00
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symtns.o \
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symvect.o \
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2004-02-26 21:48:25 +08:00
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symz.o \
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2003-12-02 23:47:00 +08:00
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tabd.o \
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2007-02-08 20:47:41 +08:00
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transform_becsum_so.o \
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transform_becsum_nc.o \
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2003-12-02 23:47:00 +08:00
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trntns.o \
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trnvecc.o \
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trnvect.o \
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tweights.o \
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update_pot.o \
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usnldiag.o \
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v_of_rho.o \
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vcsmd.o \
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vcsubs.o \
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vhpsi.o \
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2005-01-06 00:26:09 +08:00
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vhpsi_nc.o \
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2003-12-02 23:47:00 +08:00
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vloc_of_g.o \
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2003-12-10 23:11:06 +08:00
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vloc_psi.o \
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2003-12-02 23:47:00 +08:00
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w0gauss.o \
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w1gauss.o \
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wfcinit.o \
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wgauss.o \
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write_ns.o \
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2007-01-29 18:40:07 +08:00
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wsweight.o \
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2007-07-10 22:29:04 +08:00
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weights.o
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2003-01-20 05:58:50 +08:00
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2007-01-30 18:28:07 +08:00
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# not actually used
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DIIS_OBJS=\
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diis_base.o \
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cgramg1.o \
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real_diis_module.o \
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complex_diis_module.o
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2004-03-15 22:48:50 +08:00
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MODULES = \
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2004-04-28 18:25:36 +08:00
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../Modules/atom.o \
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2005-08-24 22:39:52 +08:00
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../Modules/autopilot.o \
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2004-03-15 22:48:50 +08:00
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../Modules/basic_algebra_routines.o \
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../Modules/berry_phase.o \
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../Modules/bfgs_module.o \
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../Modules/cell_base.o \
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../Modules/check_stop.o \
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../Modules/clocks.o \
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../Modules/constants.o \
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2005-04-26 07:58:26 +08:00
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../Modules/constraints_module.o \
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2004-03-15 22:48:50 +08:00
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../Modules/control_flags.o \
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2007-08-10 04:48:22 +08:00
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../Modules/descriptors.o \
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../Modules/dspev_drv.o \
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2006-01-01 20:16:46 +08:00
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../Modules/electrons_base.o \
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2004-03-15 22:48:50 +08:00
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../Modules/fft_base.o \
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../Modules/fft_scalar.o \
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../Modules/fft_types.o \
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2004-04-22 22:28:37 +08:00
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../Modules/functionals.o \
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2004-03-15 22:48:50 +08:00
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../Modules/input_parameters.o \
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../Modules/io_files.o \
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../Modules/io_global.o \
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../Modules/ions_base.o \
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2005-08-24 22:39:52 +08:00
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../Modules/ions_nose.o \
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2004-03-15 22:48:50 +08:00
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../Modules/kind.o \
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../Modules/mp_global.o \
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../Modules/mp_wave.o \
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../Modules/mp.o \
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2007-02-14 05:39:20 +08:00
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../Modules/metagga.o \
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2005-12-07 12:22:30 +08:00
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../Modules/metadyn_base.o \
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../Modules/metadyn_io.o \
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../Modules/metadyn_vars.o \
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2004-08-18 23:53:01 +08:00
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../Modules/path_base.o \
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../Modules/path_formats.o \
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../Modules/path_variables.o \
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../Modules/path_opt_routines.o \
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../Modules/path_io_routines.o \
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2005-04-17 01:07:39 +08:00
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../Modules/path_reparametrisation.o \
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2004-06-25 22:23:15 +08:00
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../Modules/parallel_include.o \
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2004-03-15 22:48:50 +08:00
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../Modules/parameters.o \
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../Modules/parser.o \
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2004-11-15 20:13:22 +08:00
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../Modules/printout_base.o \
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2004-03-15 22:48:50 +08:00
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../Modules/pseudo_types.o \
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2006-02-04 01:31:58 +08:00
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../Modules/ptoolkit.o \
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2007-09-04 23:27:50 +08:00
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../Modules/radial_grids.o \
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2006-02-04 22:06:28 +08:00
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../Modules/random_numbers.o \
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2004-03-15 22:48:50 +08:00
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../Modules/read_cards.o \
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../Modules/read_namelists.o \
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2006-03-07 21:59:02 +08:00
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../Modules/read_upf.o \
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../Modules/read_uspp.o \
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2004-03-15 22:48:50 +08:00
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../Modules/recvec.o \
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2005-01-07 20:57:41 +08:00
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../Modules/shmem_include.o \
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2005-04-16 00:17:35 +08:00
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../Modules/splinelib.o \
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2004-03-15 22:48:50 +08:00
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../Modules/stick_base.o \
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2006-03-09 02:05:55 +08:00
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../Modules/task_groups.o \
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../Modules/timestep.o \
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2007-03-19 03:24:56 +08:00
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../Modules/upf_to_internal.o \
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2004-04-14 05:49:51 +08:00
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../Modules/uspp.o \
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2004-03-15 22:48:50 +08:00
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../Modules/version.o \
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2005-03-30 22:37:55 +08:00
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../Modules/wavefunctions.o \
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2005-08-24 23:52:18 +08:00
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../Modules/wave_base.o \
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2007-08-10 04:48:22 +08:00
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../Modules/xml_io_base.o \
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../Modules/zhpev_drv.o
|
2005-03-30 22:37:55 +08:00
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|
2005-08-04 00:58:33 +08:00
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|
TLDEPS=bindir mods libs libiotk
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2005-03-30 22:37:55 +08:00
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2006-04-27 23:55:05 +08:00
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all : tldeps pw.x
|
2003-05-30 00:08:29 +08:00
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|
2006-10-04 03:26:15 +08:00
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|
pw.x : pwscf.o libpw.a $(LIBOBJS)
|
2007-06-21 01:04:47 +08:00
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|
$(LD) $(LDFLAGS) -o $@ \
|
2006-10-04 03:26:15 +08:00
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|
pwscf.o $(MODULES) libpw.a $(LIBOBJS) $(LIBS)
|
2004-09-03 01:07:31 +08:00
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|
- ( cd ../bin; ln -fs ../PW/$@ . )
|
2003-04-22 04:42:34 +08:00
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|
2006-10-04 03:26:15 +08:00
|
|
|
libpw.a : $(PWOBJS)
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|
|
|
$(AR) $(ARFLAGS) $@ $?
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|
|
|
$(RANLIB) $@
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|
|
|
|
2005-08-04 00:58:33 +08:00
|
|
|
tldeps:
|
|
|
|
test -n "$(TLDEPS)" && ( cd .. ; $(MAKE) $(MFLAGS) $(TLDEPS) || exit 1) || :
|
|
|
|
|
2003-12-02 23:47:00 +08:00
|
|
|
clean :
|
2007-01-31 23:51:32 +08:00
|
|
|
- /bin/rm -f pw.x *.o *.a *~ *.F90 *.d *.mod *.i *.L
|
2003-12-02 23:47:00 +08:00
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|
|
2004-11-09 18:53:55 +08:00
|
|
|
include make.depend
|
2005-04-18 15:23:52 +08:00
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|
2005-11-30 23:49:59 +08:00
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|
# DO NOT DELETE
|