5 Commits

Author	SHA1	Message	Date
giannozz	f533b052d5	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	2005-08-28 14:09:42 +00:00
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
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	1733abe068	- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation ... - some subroutine shortened and simplyfied to make compilation easy git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1559 c92efa57-630b-4861-b058-cf58834340f0	2005-01-15 10:53:46 +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