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16 Commits

Author SHA1 Message Date
giannozz b074a0f13d g95 doesn't like any longer iargc to be defined external 
Filenames from command line read in a single routine (get_file)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1974 c92efa57-630b-4861-b058-cf58834340f0
 2005-06-22 10:08:02 +00:00
giannozz c627b6ed03 obsolete variable 'ipp' describing the type of PP replaced by more 
self-explanatory (maybe) variables, mostly already there


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1764 c92efa57-630b-4861-b058-cf58834340f0
 2005-03-27 20:05:06 +00:00
giannozz 94d6a5c291 Added copyright notice where missing (please check) 
Modified copyright notice to make it compatible with script
"check_license"
efg: added missing broadcast of a variable


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1729 c92efa57-630b-4861-b058-cf58834340f0
 2005-03-21 13:43:38 +00:00
giannozz 1648ab6bf2 Patches from Axel Kohlmayer: 
- iotk_scan in iotk_module had a mixed up 'intent' statement.
- sun ultra fire 3 compiler warnings
- cleanup in filename length (brought to 256)
- cleanup in include files


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1399 c92efa57-630b-4861-b058-cf58834340f0
 2004-10-26 09:32:48 +00:00
sbraccia 0caeadbd7b Machine-dependent definitions are now contained in two different files (both in /include): 
1) f_defs.h  for definitions to be included in FORTRAN files ONLY
   2) c_defs.h  for definitions to be included in C       files ONLY

C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1012 c92efa57-630b-4861-b058-cf58834340f0
 2004-06-25 17:25:37 +00:00
giannozz b4da6fadb8 Various T3E compilation problems 
Any kind soul replacing the calls to zgefa and zgesl with lapack calls?


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@997 c92efa57-630b-4861-b058-cf58834340f0
 2004-06-25 10:12:10 +00:00
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
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 eb22926786 added support for g95 
several small fixes to get it to compile [Gerardo]


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@859 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-06 13:06:16 +00:00
sbraccia b33c2e1f64 Unit stdout (set in Modules/io_global.f90) is used to write on standard output 
instead of 6 or *.
C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@375 c92efa57-630b-4861-b058-cf58834340f0
 2003-11-06 09:41:13 +00:00
giannozz dd484a9c2f PW/input.f90: lattice parameter a converted to wrong units if input 
is given as a,b,c,cos(ab),cos(ac),cos(bc) instead of celldm(:)
upftools/cpmd2upf.f90: wrong conversion due to Rydberg-Hartree mess
Minor cleanup.  Band plotting may output data in xmgr-readable format


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@327 c92efa57-630b-4861-b058-cf58834340f0
 2003-10-08 15:55:15 +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 0462b8441d tics missing in band plot 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@320 c92efa57-630b-4861-b058-cf58834340f0
 2003-10-02 16:55:39 +00:00
giannozz 1e96236fdd punch_band did not compile 
plotband: do not stop in spline interpolation for silly reasons


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@279 c92efa57-630b-4861-b058-cf58834340f0
 2003-07-28 17:36:47 +00:00
cavazzon 285ca9c5db Bug fix, jumps to labels inside if blocks (from outside) are not allowed! 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@277 c92efa57-630b-4861-b058-cf58834340f0
 2003-07-25 12:26:52 +00:00
giannozz a8bbb6a06a PW/startup.f90: longer character variable np needed 
Band extraction moved out of PP/pp.x, into PP/bands.x
Band plotting program (PP/plotband.f90) added
Misc corrections


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@244 c92efa57-630b-4861-b058-cf58834340f0
 2003-06-20 15:30:55 +00:00