Commit Graph

7 Commits

Author SHA1 Message Date
giannozz e77d159823 Source normalization for VdW
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6850 c92efa57-630b-4861-b058-cf58834340f0
2010-06-18 16:54:19 +00:00
giannozz b600790521 operation between non-conformant arrays
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6646 c92efa57-630b-4861-b058-cf58834340f0
2010-04-19 16:31:45 +00:00
giannozz 5975a0d477 More of the same
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5803 c92efa57-630b-4861-b058-cf58834340f0
2009-08-03 08:15:09 +00:00
cavazzon c3fe9dd438 - reduce substituted by mp_sum
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4793 c92efa57-630b-4861-b058-cf58834340f0
2008-04-12 16:12:49 +00:00
giannozz bf05f5665c Oops, forgot to change the call to g_psi
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3738 c92efa57-630b-4861-b058-cf58834340f0
2007-02-02 13:55:32 +00:00
giannozz 19aaac89fa More miscellanous cleanup from Axel:
- disable locales via use of LC_ALL=C in all shell scripts
   (which will hopefully make sorted lists more consistent
    between people running with different locales).
 - remove redundant files from PW, NMR_new, VdW, VIB;
   rename subroutines if their functionality is noI
   unchanged from the original source it was taken from.
 - corresponding updates to Makefiles and dependencies.
 - whitespace cleanups (eleminate remaining tabs).
 - a few more float->DBLE


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3596 c92efa57-630b-4861-b058-cf58834340f0
2006-12-12 11:02:09 +00:00
degironc 72fab066cd Calculation of finite (imaginary) frequency molecular polarizability using
the approximated TF+vW scheme added.
One new subdirectory, VdW, and one new example, example34.
Contributed by V.H. Nguyen.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2994 c92efa57-630b-4861-b058-cf58834340f0
2006-04-03 10:33:22 +00:00