cavazzon
636712cef9
- scatter/gather like subroutines that act on fft grids,
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moved from PW/para.f90 to Modules/fft_base.f90
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4614 c92efa57-630b-4861-b058-cf58834340f0
2008-01-08 09:19:31 +00:00
giannozz
a2ebc57c2a
The phonon code was writing garbage on output under "Title"
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3002 c92efa57-630b-4861-b058-cf58834340f0
2006-04-06 12:13:54 +00:00
giannozz
9709360007
- Electron-phonon calculation with the new (Malgorzata) algorithm should
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now work together with dispersion calculations. No need for N separate
calculations for each q. The example will come soon.
- misc el-phon cleanup, removal of old stuff
- misc cleanup
NOTA BENE: the phonon code badly needs a cleanup of the symmetry stuff!
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2999 c92efa57-630b-4861-b058-cf58834340f0
2006-04-05 13:15:37 +00:00
giannozz
f533b052d5
dbl => DP (defined as previously dbl was)
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syntax for declarations: real(DP), without "kind="
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2135 c92efa57-630b-4861-b058-cf58834340f0
2005-08-28 14:09:42 +00:00
sbraccia
b181c7f33f
Old parallel variables (such as me mypool) removed from PH.
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C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1415 c92efa57-630b-4861-b058-cf58834340f0
2004-11-03 10:58:17 +00:00
sbraccia
0caeadbd7b
Machine-dependent definitions are now contained in two different files (both in /include):
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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
sbraccia
d1579c66ec
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
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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
0b1a5c9fd8
Extensive module cleanup: DP moved from wrong place (parameters) to the
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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
ballabio
833d2f0d9a
fixed typo (0d.0 -> 0.d0) [Gerardo]
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@479 c92efa57-630b-4861-b058-cf58834340f0
2004-01-13 08:47:50 +00:00
giannozz
16bd3a343b
Phonon did not work on 4-dim irreps
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@477 c92efa57-630b-4861-b058-cf58834340f0
2004-01-09 15:56:24 +00:00
sbraccia
871e3677b3
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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instead of 6 or *.
C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@374 c92efa57-630b-4861-b058-cf58834340f0
2003-11-05 19:01:20 +00:00
giannozz
be52103a27
All filenames => 80 char
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All directories=> 80 char
Filenames + directories + other => 256
---------------------------------------------------------------
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@154 c92efa57-630b-4861-b058-cf58834340f0
2003-04-12 19:25:08 +00:00
dalcorso
94a980bfc2
L'output di punch_plot_e e di punch_plot_ph reso di nuovo leggibile da
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chdens.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@129 c92efa57-630b-4861-b058-cf58834340f0
2003-03-20 10:52:02 +00:00
giannozz
9e3a2de758
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
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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
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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
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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