More things to do

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6035 c92efa57-630b-4861-b058-cf58834340f0
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giannozz 2009-10-17 11:16:50 +00:00
parent ed34a4c724
commit ebe78cd38a
1 changed files with 7 additions and 8 deletions

15
TODO
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@ -7,12 +7,9 @@ TODO LIST - October 2009
1.1.2 pseudopotential upload facility: missing in action, should be
re-implemented, unless we decide to move the psedupotential
table elsewhere (qe-forge, wiki)
1.1.3 file upload facility is also missing in action. Should be
re-implement (or do we want to move it to qe-forge?)
1.2 www.pwscf.org: should disappear altogether
(unless we decide to give it a new role)
1.2 www.pwscf.org: should disappear altogether (done)
1.3 CVS restructuring:
1.3.1 external libraries in *.tar.gz format
1.3.1 external libraries in *.tar.gz format (done - to be checked)
1.3.2 no pseudopotentials in CVS any longer
1.3.3 only general-purpose modules in Modules/
1.4 mailing lists:
@ -55,8 +52,9 @@ TODO LIST - October 2009
4) Development
4.1 Big new developments to add:
4.1.1 ready: QHA (remove pwtools/fqha.f90)
4.1.2 ready: TD-DFPT
4.1.0 ready: QHA (remove pwtools/fqha.f90)
4.1.1 ready: TD-DFPT
4.1.2 coming soon (?): vdW with nonlocal xc functional
4.1.3 coming soon (?): new GWW
4.1.4 coming soon (?): electron-phonon (EPW)
4.1.5 next: bio-oriented stuff (Solvent Models, PCM, QM-MM)
@ -64,6 +62,7 @@ TODO LIST - October 2009
Wyckoff interface
4.2 Small new developments, desirable or to be added:
4.2.0 configure and MKL 10.2: what to do?
4.2.1 configure doesn't recognize ifort+acml; maybe we should use
AC_PROG_FC instead of AC_PROG_F77; is __ALPHA still used ?
4.2.2 Add check if constraints break the symmetry
@ -135,6 +134,7 @@ TODO LIST - October 2009
4.3.3 grid-ization/parallelization of the phonon code: irreps and
q-vectors should be distributed across processors/grid computers
4.3.4 PH: use charge mixing instead of potential mixing
4.3.5 D3: verify status of parallelization, clean it up if needed
4.4 Cleanup
4.4.1 Increase modularization by
@ -179,7 +179,6 @@ TODO LIST - October 2009
4.4.9 too many confusing error messages are still around
4.4.10 Output should be more informative and less confused, better
structured, and ready for automatic reading by xcrysden
(see qe-forge for a recent problem with output and xcrysden)
4.4.11 any possibility to merge the various solve_* in PH ?
4.4.12 Replace "use pwcom" with more "use" statements
4.4.13 The calculation of P_c x|\psi> should be extracted from PH,