Commit Graph

6 Commits

Author SHA1 Message Date
cavazzon 260828432d - FPMD: pseudopotential variable wsg, wnl, fnl substituted with
dion, beta, bec everyware.
- subroutines formfn, compute_beta, nlsm1, nlsm2, ecc ... now are common
  between FPMD and CPV, a lot of clean ups!
- Changes in stdout: relevant physical quantities ( positions velocities an cell )
  are now printed with the seme format of the corresponding input card,
  like in PW, as was suggested by SdG.
- exemple23 updated to reflect the new input namelist "wannier"
- Subroutine init_run now is used in FPMD too.
- WARNING in the stress computed with CP, for a pseudo with core-corrections,
  a contribution is missing! Not yet fixed, I need to talk with PG for the
  box staff.
- WARNING the examples reference are not updated, I'm on the IBM sp, and
  I prefer to update them from a linux machine.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2110 c92efa57-630b-4861-b058-cf58834340f0
2005-08-22 14:14:13 +00:00
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 2047ff6986 - 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
2005-01-26 10:15:04 +00:00
cavazzon 89ab8f3e55 - FPMD files added to CPV directory
- FPMD directory is no more needed


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1479 c92efa57-630b-4861-b058-cf58834340f0
2004-11-25 14:51:47 +00:00