umari
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1e93168339
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*** empty log message ***
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4937 c92efa57-630b-4861-b058-cf58834340f0
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2008-05-15 15:06:05 +00:00 |
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giannozz
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c29cecb4fe
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Unused variables removed
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3429 c92efa57-630b-4861-b058-cf58834340f0
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2006-10-03 23:47:00 +00:00 |
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cavazzon
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e92ac1f08a
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- static array substituted with dynamic array, to reduce
memory requirements
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2951 c92efa57-630b-4861-b058-cf58834340f0
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2006-03-23 18:00:12 +00:00 |
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umari
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ec9753002e
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Added second Berry's phase el. field
some improvements in inner_loop
P.U.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2755 c92efa57-630b-4861-b058-cf58834340f0
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2006-02-01 18:01:04 +00:00 |
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umari
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e3fa92df55
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Fixed some bugs for electric field with CP
P.U.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2358 c92efa57-630b-4861-b058-cf58834340f0
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2005-10-24 22:06:01 +00:00 |
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umari
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65101eaca3
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Major clean-ups
P.U.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2331 c92efa57-630b-4861-b058-cf58834340f0
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2005-10-21 15:37:47 +00:00 |
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giannozz
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f533b052d5
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dbl => DP (defined as previously dbl was)
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
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2005-08-28 14:09:42 +00:00 |
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ballabio
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fcc1f4d437
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end module --> end module name [Gerardo]
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1875 c92efa57-630b-4861-b058-cf58834340f0
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2005-05-18 14:24:56 +00:00 |
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ballabio
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cc9d7d7b52
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end subroutine --> end subroutine name [Gerardo]
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1871 c92efa57-630b-4861-b058-cf58834340f0
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2005-05-18 08:49:38 +00:00 |
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sbraccia
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a00aac0e25
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header containing the GPL license added where missing and made omogeneous.
C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1865 c92efa57-630b-4861-b058-cf58834340f0
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2005-05-16 19:19:04 +00:00 |
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cavazzon
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0219a46b4c
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- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays
now have the same layout (equal to the layout they have in PW)
- iotk files in Modules have been removed
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1801 c92efa57-630b-4861-b058-cf58834340f0
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2005-04-14 21:08:53 +00:00 |
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cavazzon
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2047ff6986
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- more CP90/FPMD merging
- fix in the FPMD xc functionals wrapper
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1575 c92efa57-630b-4861-b058-cf58834340f0
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2005-01-26 10:15:04 +00:00 |
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cavazzon
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56322ee7d7
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- added ensemble dft
- added ensemble dft / conjugate gradient / electric field
from Paolo Umari / Marzari code
- NOT YET TESTED!!
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1524 c92efa57-630b-4861-b058-cf58834340f0
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2004-12-21 15:48:19 +00:00 |