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25 Commits

Author SHA1 Message Date
giannozz 2e578b16b1 Raman with finite differences should work again 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1555 c92efa57-630b-4861-b058-cf58834340f0
 2005-01-12 14:19:42 +00:00
dalcorso 646b629563 The noncolinear version is not working in these programs. Added a call errore 
in these cases.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1536 c92efa57-630b-4861-b058-cf58834340f0
 2005-01-05 15:22:56 +00:00
giannozz c756769e7d Routines moved to flib no longer in Makefiles 
problems in parallel compilation


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1458 c92efa57-630b-4861-b058-cf58834340f0
 2004-11-19 13:44:01 +00:00
sbraccia 6a4140479e Old parallel variables (such as me mypool) removed from Gamma. 
C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1422 c92efa57-630b-4861-b058-cf58834340f0
 2004-11-04 12:25:16 +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
giannozz 64fdc25ee9 Raman with finite differences disabled (doesn't work any longer) 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1284 c92efa57-630b-4861-b058-cf58834340f0
 2004-09-14 16:06:30 +00:00
giannozz 236867dbf3 Some obvious and needed checks were missing from phonon codes 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1051 c92efa57-630b-4861-b058-cf58834340f0
 2004-07-08 10:23:24 +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 ea6af44636 parallel_include added 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1003 c92efa57-630b-4861-b058-cf58834340f0
 2004-06-25 15:10:14 +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
sbraccia d1579c66ec Removed references (not yet everywhere) to module basis for those variables already in module ions_base. 
C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@953 c92efa57-630b-4861-b058-cf58834340f0
 2004-06-12 13:44:18 +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 18e476f2a6 again more "program -in input" [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@924 c92efa57-630b-4861-b058-cf58834340f0
 2004-05-27 17:29:01 +00:00
giannozz 7868b0a4ab - Missing object in pwtools/Makefile 
- yet another call to init_pool removed
- Changelog and BUGS updated


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@704 c92efa57-630b-4861-b058-cf58834340f0
 2004-03-08 14:00:22 +00:00
giannozz 0b1a5c9fd8 Extensive module cleanup: DP moved from wrong place (parameters) to the 
correct place (kinds); module "varie" replaced by "control_flags" (not
yet in pwcom, though) - many many files changed.
64-bit cpus (Opteron, maybe Itanium) should now work if __LINUX64 is defined


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@513 c92efa57-630b-4861-b058-cf58834340f0
 2004-01-23 15:08:03 +00:00
cavazzon cbff0f48de different modules containing filenames and directories 
substituted by common module:
Modules/io_files.f90


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@317 c92efa57-630b-4861-b058-cf58834340f0
 2003-09-23 14:45:12 +00:00
giannozz 96ea2f812f Do not restart bfgs from previous results if restart_mode='from_scratch' 
(this time correct)
BEWARE: tmp_dir => outdir in all namelists and examples
misc. cleaning


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@138 c92efa57-630b-4861-b058-cf58834340f0
 2003-03-27 15:47:30 +00:00
giannozz a0cc0b1d7e - call to dvqpsi_us in PH/elphon.f90 updated with recent 
recent changes (could cause core dump)
- local_dos.f90 compilation error in parallel case
- more mpi_bcast => mp_bcast, misc. cleaning


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@131 c92efa57-630b-4861-b058-cf58834340f0
 2003-03-21 16:20:59 +00:00
giannozz 5542a00340 Misc. installation and doc fixes 
T3D, T3E, __CRAY => __T3E  ; PC => __LINUX


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@99 c92efa57-630b-4861-b058-cf58834340f0
 2003-02-27 13:59:04 +00:00
cavazzon 0d8fb8b997 CPP macro ORIGIN and SGI changed to __ORIGIN and __SGI 
Make.origin now works for all codes, Make.cp.origin removed


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@95 c92efa57-630b-4861-b058-cf58834340f0
 2003-02-25 22:45:04 +00:00
giannozz 9e3a2de758 Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx" 
bug in io_base fixed
PARA => __PARA
cinterpolate moved into interpolate


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@86 c92efa57-630b-4861-b058-cf58834340f0
 2003-02-21 14:57:00 +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 522ecf435e Minor things 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@31 c92efa57-630b-4861-b058-cf58834340f0
 2003-01-28 20:21:46 +00:00
giannozz 43433b42cd Manuale, dynmat.f90, copyright, misc 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@29 c92efa57-630b-4861-b058-cf58834340f0
 2003-01-28 12:28:11 +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