858c2af16d
Missing lapack routines added
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1596 c92efa57-630b-4861-b058-cf58834340f0
2005-01-31 10:05:59 +00:00
c130600692
update lapack with routines needed by the atomic code and its dependencies:
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dgesv.f dgetrs.f dptsv.f dpttrf.f dpttrs.f dptts2.f
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@899 c92efa57-630b-4861-b058-cf58834340f0
2004-05-19 15:08:48 +00:00
0fa413cc9c
Old version of dnrm2 moved out of lapack.f and replaced (in blas.f,
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where it belongs) with a version that does not contain ASSIGN
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@862 c92efa57-630b-4861-b058-cf58834340f0
2004-05-07 16:45:52 +00:00
7b38e1c8b5
rdiaghg.f90 uses dsygvx routine which was nor present in local copy of lapack
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added + all its dependancies
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@735 c92efa57-630b-4861-b058-cf58834340f0
2004-03-17 12:17:46 +00:00
57decddb1b
Oops, zgesvd added where it is needed (together with many other routines)
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and removed where it is not
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@581 c92efa57-630b-4861-b058-cf58834340f0
2004-02-11 10:10:08 +00:00
562d98e0cf
add subroutines zrot, zgetrf, zgetrs, zgetf2, zlaswp to fix dependancies
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M.P.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@423 c92efa57-630b-4861-b058-cf58834340f0
2003-11-21 14:03:53 +00:00
c5d8ff2f66
- unit 6 replaced by stdout in CPV
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- ^M removed from pseudo files
- wavefunctions arrais moved to module
wavefunctions_module, common to all codes
this is required to reduce duplicated subroutine
- new lapack subroutine, called from PWCOND,
added to lib/lapack.f lib/lapack_ibm.f
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@381 c92efa57-630b-4861-b058-cf58834340f0
2003-11-09 10:42:50 +00:00
3a086b820c
Installation cleanup; fftw are compiled by default
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All Makefiles updated for addition of Berry phase code
iargc, getenv, getarg preprocessed
Missing Blas/Lapack sources for pw added
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@228 c92efa57-630b-4861-b058-cf58834340f0
2003-06-12 07:43:14 +00:00
c128a37fe2
duplicated routines in lapack removed
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Makefile in PP, PH, D3, Gamma fixed
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@117 c92efa57-630b-4861-b058-cf58834340f0
2003-03-08 16:35:47 +00:00
762fc21160
- bessel functions subroutine sph_bes.f moved to flib and updated
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with a vector mass interface.
- lapack_ibm.f updated to be used with PW
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@115 c92efa57-630b-4861-b058-cf58834340f0
2003-03-07 17:22:36 +00:00
ecc5d9702f
some blas subroutines that were included into lapack.f
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have been moved to blas.f .
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@89 c92efa57-630b-4861-b058-cf58834340f0
2003-02-21 17:21:36 +00:00
6485045722
1) directory flib now contains only commons general pourpose subroutines,
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all FPMD related subs moved back to FPMD directory.
2) All Make.fpmd... merged with Make.cp... and removed.
3) "use parameter .." added to all cft_3 subroutines .
4) hpsort.f90 erf.f90 simpson.f90 moved to flib .
everything seem to compile fine,
at least on IBM
carlo
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@67 c92efa57-630b-4861-b058-cf58834340f0
2003-02-13 23:10:25 +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