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10 Commits

Author SHA1 Message Date
giannozz 45760a7a5f More T3E glitches: getarg must be preprocessed 
|| instead of | in clib/cp.h


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@985 c92efa57-630b-4861-b058-cf58834340f0
 2004-06-21 14:13:24 +00:00
dalcorso 326cb22241 io_base : added read and write of jchi and jjj (ADC) 
PP : added the possibility to plot the magnetization in the
          noncolinear case (ADC)
   PWNC : clean up. openfil, restart, punch, read_conf_from_file,
          write_conf_to_file, restart_in_electrons, merged
          with those in PW. (ADC)
          io_base : noncolin, lspinorb saved in restart file.(ADC)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@965 c92efa57-630b-4861-b058-cf58834340f0
 2004-06-14 15:22:24 +00:00
giannozz ee61e86345 iargc explicitely declared 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@926 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-28 10:29:52 +00:00
ballabio ec7882d5e1 Added support for "program -in input" 
where program = pp.x, chdens.x, bands.x [Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@922 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-27 16:12:42 +00:00
dalcorso b895225c6e Small bug fix: kpoint was broadcasted twice, n_atom_wfc was not used. 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@913 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-26 09:37:54 +00:00
giannozz 68b075c1ae Cleanup: pwcom no longer used in PP/ 
qgm is now a local variable as it should be


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@867 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-08 10:24:24 +00:00
cazzato db23f632d6 the new punch routine, which writes on the .save file (instead of .pun), 
is now the default. Moreover, if the wf_collect flag (in the control namelist)
is true, it collects all wave functions and store them in the same file.
The phonon and postprocessing codes can handle this new .save file.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@864 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-07 17:21:24 +00:00
giannozz d44dc1ac81 Cleanup of PP routines - band plotting simplified 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@321 c92efa57-630b-4861-b058-cf58834340f0
 2003-10-03 11:17:13 +00:00
giannozz d852392cab module allocate, calls to mallocate, mfree removed 
pointers replaced by allocatable whenever possible


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@56 c92efa57-630b-4861-b058-cf58834340f0
 2003-02-07 16:04:36 +00:00
giannozz ac9f2144c0 O-sesame 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2 c92efa57-630b-4861-b058-cf58834340f0
 2003-01-19 21:58:50 +00:00