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Makefile
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New PAW version, now completely working on radial grid. Code on FFT grid can still be compiled using __GRID_PAW flag (but may not work a
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2007-10-22 14:54:29 +00:00 |
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allocate_d3.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
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bcast_d3_input.f90
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The phonon code was writing garbage on output under "Title"
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2006-04-06 12:13:54 +00:00 |
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ch_psi_all2.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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close_open.f90
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seqopn.f90 and diropn.f90 modified in such a way that the name of
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2005-06-17 13:27:38 +00:00 |
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d0rhod2v.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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d2mxc.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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d3_exc.f90
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scf_mod again..
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2007-11-01 11:19:31 +00:00 |
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d3_init.f90
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Old BHS potentials removed everywhere
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2007-10-16 15:07:42 +00:00 |
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d3_readin.f90
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getenv replaced by wrapper get_env, preprocessed only in a single file
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2006-10-11 14:42:42 +00:00 |
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d3_recover.f90
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Old parallel variables (such as me mypool) removed from D3.
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2004-11-04 12:09:48 +00:00 |
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d3_setup.f90
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scf_mod again..
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2007-11-01 11:19:31 +00:00 |
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d3_summary.f90
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Misc pseudopotential cleanup: upf_to_internal merged between CP and PW;
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2007-03-18 19:24:56 +00:00 |
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d3_symdyn.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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d3_symdynph.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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d3_valence.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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d3com.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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d3dyn_cc.f90
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scf_mod again..
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2007-11-01 11:19:31 +00:00 |
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d3ionq.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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d3matrix.f90
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Compatibility with the previous changes.
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2007-02-08 13:57:01 +00:00 |
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d3toten.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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d3vrho.f90
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scf_mod again..
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2007-11-01 11:19:31 +00:00 |
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davcio_drho2.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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dpsi_corr.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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dpsidpsidv.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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dpsidvdpsi.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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dqrhod2v.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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drho_cc.f90
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More cleanup from Axel:
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2006-12-11 10:19:53 +00:00 |
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drho_drc.f90
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Redundant variable nlcc eliminated
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2007-10-29 10:20:01 +00:00 |
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drhod2v.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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dvdpsi.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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dvscf.f90
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Redundant variable nlcc eliminated
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2007-10-29 10:20:01 +00:00 |
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gen_dpdvp.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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gen_dwfc.f90
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Old parallel variables (such as me mypool) removed from D3.
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2004-11-04 12:09:48 +00:00 |
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incdrhoscf2.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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make.depend
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make.depend again and a corrected scf_mod.f90
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2007-10-31 23:02:23 +00:00 |
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openfild3.f90
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Old file format and related files deleted, makefiles updated accordingly
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2006-03-23 11:00:52 +00:00 |
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print_clock_d3.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-06 13:06:49 +00:00 |
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psymd0rho.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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qstar_d3.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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read_ef.f90
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Old parallel variables (such as me mypool) removed from D3.
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2004-11-04 12:09:48 +00:00 |
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rotate_and_add_d3.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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set_d3irr.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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set_efsh.f90
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Shorthand for Rydberg is Ry, not ryd
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2006-10-23 12:32:54 +00:00 |
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set_sym_irr.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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sgama_d3.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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solve_linter_d3.f90
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Compatibility with the previous changes.
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2007-02-08 13:57:01 +00:00 |
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stop_d3.f90
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iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used
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2004-12-10 15:20:46 +00:00 |
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sym_def1.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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symd0rho.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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trntnsc_3.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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w_1gauss.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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write_aux.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
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write_d3dyn.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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write_igk.f90
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- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |
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writed3dyn_5.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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