[Ape-devel] svn commit: r702 - trunk/src by micael

[ape-devel at tddft.org]

      Author: micael
        Date: Thu Apr 26 10:24:56 2012
New Revision: 702
   Changeset: http://www.tddft.org/trac/APE/changeset/702

Modified:
   trunk/src/atom_ps_inc.F90
   trunk/src/mrpp.F90
   trunk/src/mrpp_equations.F90
   trunk/src/states.F90
   trunk/src/states_batch.F90

Log:
 * Removed the PPScheme variable and changed the PPComponents block so that the scheme is specified for each component. This means it is now possible to use different schemes at the same time.
 * Valence states higher in energy than the ones specified in the PPComponents block are now included properly.
 * Now only semi-core component should be specified for the MRPP scheme, as the code will find the corresponding valence state automatically. Also, the same cut-off radius will be used for both, as I realized that in fact it made no sense for it to be different.