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quantum-espresso
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10 Commits

Author SHA1 Message Date
ballabio cc9d7d7b52 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
 2005-05-18 08:49:38 +00:00
ballabio 348adb1cc1 end --> end function [Gerardo] 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1868 c92efa57-630b-4861-b058-cf58834340f0
 2005-05-17 16:46:38 +00:00
sbraccia a00aac0e25 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
 2005-05-16 19:19:04 +00:00
cavazzon b8a7f0bd86 - FPMD/CP90 ionic and electronic nose' thermostat merged 
- clean-up


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1763 c92efa57-630b-4861-b058-cf58834340f0
 2005-03-26 15:29:07 +00:00
cavazzon bd437a16d3 - Nose' chain from K.Kudin added to CVS 
TO BE CHECKED!!
- iotk_multitype_integer splitted into two files to
  workaround compiler problem (IBM xlf) with small simbol stack
- new module with SIC variables


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1712 c92efa57-630b-4861-b058-cf58834340f0
 2005-03-15 14:35:47 +00:00
cavazzon ba5d5e7915 - FPMD/CP check and warning andded when cell parameters are specified 
multiple times in input file


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1706 c92efa57-630b-4861-b058-cf58834340f0
 2005-03-14 14:11:19 +00:00
cavazzon 878a9ebece - more cpv/fpmd merging 
- FFT grid (nr1,nr2,nr3 nr1s,nr2s,nr3s) now can be specified in the
  input


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1671 c92efa57-630b-4861-b058-cf58834340f0
 2005-03-02 10:03:55 +00:00
cavazzon 56322ee7d7 - 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
 2004-12-21 15:48:19 +00:00
cavazzon 804ac1fdcf - CP/FPMD merging and clean-up 
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1486 c92efa57-630b-4861-b058-cf58834340f0
 2004-11-28 22:11:41 +00:00
cavazzon 1b6d4786c3 - more CP/FPMD merging 
- CP/FPMD specific modules moved back from Modules to CPV


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1482 c92efa57-630b-4861-b058-cf58834340f0
 2004-11-26 10:12:26 +00:00