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
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
e34c8c50e3
Several Gamma-specific routines merged into PW/
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@356 c92efa57-630b-4861-b058-cf58834340f0
2003-10-29 18:53:40 +00:00
cbff0f48de
different modules containing filenames and directories
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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
d0706224d4
Version number centralized in Modules/version.f90, updated to 1.3.0
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Auxiliary programs in pwtools/: equation of state (ev.x),
distances/angles (dist.x), k-point generation (kpoints.x).
D3 fixes (maybe). Misc cleanup.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@291 c92efa57-630b-4861-b058-cf58834340f0
2003-08-29 17:15:25 +00:00
5632833307
25 Jul 2003 el-ph calculation in the US case should work properly.
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An US term in the calculation of deltaV * psi_v needed in
elphon.f90 was missing. This was giving wrong number in version
1.2.0, while US case was not implemented in previous versions.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@275 c92efa57-630b-4861-b058-cf58834340f0
2003-07-25 08:40:28 +00:00
5772acd872
Some cleanup in ggen, __OLD_GGEN stuff removed,
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same code (almost) for PW and Gamma versions
version number updated, manual updated
Lahey installation
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@203 c92efa57-630b-4861-b058-cf58834340f0
2003-05-05 16:10:51 +00:00
23aec87a2f
- more performance issues
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- ifdef __PARA removed from the main subroutine of PW, Gamma, D3, PP, PH
now startup is called both for serial and parallel codes.
- cfts_3 included in fft_scalar ( tested for __AIX )
- module pencils in serial executions is no more needed
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@189 c92efa57-630b-4861-b058-cf58834340f0
2003-04-28 07:23:04 +00:00
433ad9a2f9
calls to mpi_bcast replaced by calls to interface mp_bicast
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Electron-phonon with Vanderbilt according to MW
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@132 c92efa57-630b-4861-b058-cf58834340f0
2003-03-24 15:25:17 +00:00
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
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
90645c698b
Ultimi dettagli, 1.2.0
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@35 c92efa57-630b-4861-b058-cf58834340f0
2003-01-29 09:37:09 +00:00
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
giannozz