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Makefile
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fixed problem with compilation rules [Gerardo]
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2005-10-06 09:44:04 +00:00 |
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atom.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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autopilot.f90
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uninitialised variable nrules replaced by n_rules
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2005-11-22 08:05:17 +00:00 |
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basic_algebra_routines.f90
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Cleanup. C.S.
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2005-09-24 02:42:07 +00:00 |
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berry_phase.f90
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more end subroutine --> end subroutine name [Gerardo]
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2005-05-18 09:38:45 +00:00 |
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bfgs_module.f90
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Fixed a syntax error. S.Z.
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2005-10-06 20:27:16 +00:00 |
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cell_base.f90
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UMA => AMU everywhere . For people not speaking latin-derived languages
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2005-10-25 13:08:29 +00:00 |
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check_stop.f90
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Some cleanup: the info message about reading/writing the restart file now indicates the
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2005-11-07 18:56:23 +00:00 |
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clocks.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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coarsegrained_vars.f90
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g95 doesn't like format "L"
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2005-11-14 15:41:04 +00:00 |
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constants.f90
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Adding conversion for dipole moment from AU to Debye. [silviu]
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2005-11-20 21:17:49 +00:00 |
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constraints_module.f90
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Bugs in constrained minimization fixed + better output format
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2005-10-30 21:23:56 +00:00 |
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control_flags.f90
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- fixed a problem with the charge written in restart dir, since
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2005-10-01 16:04:41 +00:00 |
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descriptors.f90
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more end subroutine --> end subroutine name [Gerardo]
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2005-05-18 09:38:45 +00:00 |
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electrons_base.f90
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- check added on SIC staff with CP
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2005-11-09 16:33:07 +00:00 |
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energies.f90
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- CP/FPMD print out routines merged, now physical quantities are
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2005-11-08 00:03:27 +00:00 |
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fft_base.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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fft_scalar.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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fft_types.f90
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last end subroutine --> end subroutine name [Gerardo]
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2005-05-18 14:02:51 +00:00 |
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functionals.f90
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More small changes to funct module, some clean up of the EXX part.
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2005-11-04 11:47:42 +00:00 |
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griddim.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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input_parameters.f90
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Modules/functionals.f90 modified.
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2005-11-02 15:42:06 +00:00 |
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io_base.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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io_files.f90
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oops ... (I forgot this file in the previous commit).
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2005-11-08 19:23:30 +00:00 |
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io_global.f90
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Fixed several bugs in the routines for "path-optimization":
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2004-08-23 06:51:19 +00:00 |
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ions_base.f90
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- few more useful print out for CP/FPMD
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2005-11-09 17:57:05 +00:00 |
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ions_nose.f90
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Fixed a bug spotted by Yonas Abraham in the autopilot (ions_nose_init is called every
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2005-10-18 21:49:50 +00:00 |
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kind.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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mp.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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mp_buffers.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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mp_global.f90
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last end subroutine --> end subroutine name [Gerardo]
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2005-05-18 14:02:51 +00:00 |
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mp_wave.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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parallel_include.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:12:51 +00:00 |
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parallel_types.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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parameters.f90
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Several bug-fix and clean-up.
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2005-10-20 15:22:12 +00:00 |
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parser.f90
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Bug fix in delete_if_present: only ionode has to remove the file.
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2005-09-15 15:14:58 +00:00 |
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path_base.f90
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my old ifc 7.0 does not like unbalanced assignement statement like
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2005-10-31 15:18:25 +00:00 |
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path_formats.f90
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NEB clean-up; fixed some bugs in the CP implementation. C.S.
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2005-09-11 00:50:13 +00:00 |
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path_io_routines.f90
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Extensive clean-up and reorganisation of the routines for the calculation
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2005-09-17 02:35:57 +00:00 |
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path_opt_routines.f90
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Several bug-fix and clean-up.
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2005-10-20 15:22:12 +00:00 |
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path_reparametrisation.f90
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Several bug-fix and clean-up.
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2005-10-20 15:22:12 +00:00 |
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path_variables.f90
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Several bug-fix and clean-up.
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2005-10-20 15:22:12 +00:00 |
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printout_base.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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pseudo_types.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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pseudodata.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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ptoolkit.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_cards.f90
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Several bug-fix and clean-up.
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2005-10-20 15:22:12 +00:00 |
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read_namelists.f90
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- default values for nr1b nr2b nr3b set equal to 3,
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2005-11-07 16:46:19 +00:00 |
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readpseudo.f90
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When reading UPF potentials it is better to check for end-of-file rather
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2005-11-03 15:59:28 +00:00 |
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recvec.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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shmem_include.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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sic.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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smallbox.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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splinelib.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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stick_base.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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timestep.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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uspp.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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version.f90
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Version number updated
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2005-09-24 10:07:13 +00:00 |
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wave_base.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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wavefunctions.f90
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Just changed
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2005-09-02 16:37:46 +00:00 |
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xml_io_base.f90
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Yet another modification to the history subdir (provided by Yonas Abraham). It does not
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2005-11-11 16:25:53 +00:00 |
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