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quantum-espresso/PP
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degironc ac7906dc29 - makefile update after yesterday changes 
- variable "ishybrid" added to Modules/funct.f90 to manage hybrid functionals
- duplicated subroutines in upftools/nclib.f90 removed


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2095 c92efa57-630b-4861-b058-cf58834340f0
 		2005-08-09 07:34:23 +00:00
..
Makefile - makefile update after yesterday changes 2005-08-09 07:34:23 +00:00
add_shift_cc.f90 07 Oct 2004 - a new utility virtual.x has been added to upftools 2004-10-07 13:31:54 +00:00
add_shift_lc.f90 07 Oct 2004 - a new utility virtual.x has been added to upftools 2004-10-07 13:31:54 +00:00
add_shift_us.f90 07 Oct 2004 - a new utility virtual.x has been added to upftools 2004-10-07 13:31:54 +00:00
addusdens1d.f90 Machine-dependent definitions are now contained in two different files (both in /include): 2004-06-25 17:25:37 +00:00
average.f90 Old parallel variables (such as me mypool) removed from PP. 2004-11-03 13:49:16 +00:00
bands.f90 New routine input_from_file called everywhere 2005-06-09 07:34:11 +00:00
cft.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
cgracsc.f90 Bands.f90 generalized. Now it can deal with also with the LSDA, 2005-01-05 17:42:55 +00:00
chdens.f90 Calculation of polarisation moved from chdens into postproc 2005-08-02 15:16:44 +00:00
cube.f90 Added copyright notice where missing (please check) 2005-03-21 13:43:38 +00:00
dipole.f90 More cleanup of the dipole/MAakovPayne stuff 2005-08-05 08:25:46 +00:00
do_initial_state.f90 Missing "&" 2004-11-22 13:12:58 +00:00
do_shift_ew.f90 07 Oct 2004 - a new utility virtual.x has been added to upftools 2004-10-07 13:31:54 +00:00
dos.f90 New routine input_from_file called everywhere 2005-06-09 07:34:11 +00:00
dosg.f90 dos.f90 updated. It should now work also in the non collinear case. 2005-06-07 11:21:07 +00:00
efg.f90 Added copyright notice where missing (please check) 2005-03-21 13:43:38 +00:00
elf.f90 Elf + Ultrasoft: avoid error with negative charge 2005-07-19 12:43:31 +00:00
ggen1d.f90 Cleanup: pwcom no longer used in PP/ 2004-05-08 10:24:24 +00:00
initial_state.f90 Added copyright notice where missing (please check) 2005-03-21 13:43:38 +00:00
local_dos.f90 15 Dec 2004 some cleanup in the checks on iflag, lsign, kpoints etc. 2004-12-15 11:30:48 +00:00
local_dos1d.f90 Machine-dependent definitions are now contained in two different files (both in /include): 2004-06-25 17:25:37 +00:00
openfil_pp.f90 seqopn.f90 and diropn.f90 modified in such a way that the name of 2005-06-17 13:27:38 +00:00
plan_avg.f90 Machine-dependent definitions are now contained in two different files (both in /include): 2004-06-25 17:25:37 +00:00
plot_io.f90 Opened file not closed 2004-05-25 13:01:14 +00:00
plot_whole_cell.f90 Added copyright notice where missing (please check) 2005-03-21 13:43:38 +00:00
plotband.f90 g95 doesn't like any longer iargc to be defined external 2005-06-22 10:08:02 +00:00
plotrho.f90 g95 doesn't like any longer iargc to be defined external 2005-06-22 10:08:02 +00:00
poormanwannier.f90 Added copyright notice where missing (please check) 2005-03-21 13:43:38 +00:00
postproc.f90 Calculation of polarisation moved from chdens into postproc 2005-08-02 15:16:44 +00:00
projwfc.f90 Reduce number of (in-)significant figures 2005-08-01 09:31:23 +00:00
punch_plot.f90 Calculation of polarisation moved from chdens into postproc 2005-08-02 15:16:44 +00:00
pw2casino.f90 seqopn.f90 and diropn.f90 modified in such a way that the name of 2005-06-17 13:27:38 +00:00
pw2wan.f90 Old parallel variables (such as me mypool) removed from PP. 2004-11-03 13:49:16 +00:00
pw_export.f90 - fix for fpmd2upf.f90, it did not compile 2005-05-19 11:09:42 +00:00
start_postproc.f90 more init_pool calls removed (already contained in startup) 2004-03-05 17:42:40 +00:00
stm.f90 write cpu time in a form that can be easily parsed out 2005-07-28 09:03:28 +00:00
stop_pp.f90 iuwfc => iunwfc 2004-12-07 08:25:16 +00:00
voronoy.f90 Old parallel variables (such as me mypool) removed from PP. 2004-11-03 13:49:16 +00:00
wfdd.f90 more end --> end subroutine [Gerardo] 2005-05-12 15:19:08 +00:00
work_function.f90 Old parallel variables (such as me mypool) removed from PP. 2004-11-03 13:49:16 +00:00
xctest.f90 last end subroutine --> end subroutine name [Gerardo] 2005-05-18 14:02:51 +00:00
xsf.f90 Added copyright notice where missing (please check) 2005-03-21 13:43:38 +00:00