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666. By Sergio Illera Developer <email address hidden> on 2018-12-19

Modularized delrhog in the same way as delrhok: delrhog and delEg for a standard scf call and for the last call.

m_delrhog and m_delrhok some variable cleaning...

delrho: addapted the callings for the new subrotuines.

m_delrhok: solved bugs in some alloc-dealloc name mismatches

Makefile: dependencies updated.

delrhokp: the funcion dstepf (fermi function derivative) is not accesible from public scheme.
Changed.

Updated the LR_tests and its solutions.

665. By Sergio Illera Developer <email address hidden> on 2018-12-14

I forgot to add m_delrhok folder

664. By Sergio Illera Developer <email address hidden> on 2018-12-11

=updated version.info

663. By Sergio Illera Developer <email address hidden> on 2018-12-11

linresscf.F: set to zero explicitly dEscf before last call to delrho.

delrhok ---> m_delrhok: now this is a module that contains delrhok and delEk
 delrhok: computes dDscf
 delEk: computes dEscf in the last call from delrho. (used the old miguel's scheme, extra diagonalizations of deg subspace)

Makefile: new m_delrhok dependencies

662. By Sergio Illera Developer <email address hidden> on 2018-09-19

delrho-delrhog: clean some variables related to these two subroutines
 Added names to the de_alloc functions

Docs: added Linres manual (Docs folder) in LR_DOC_TEST folder.

Updated the tests

661. By Sergio Illera Developer <email address hidden> on 2018-08-27

delrhokp: New implemention of Sternheimer equation in delrhokp
 Activated UsePsi strategy in delrhokp

delrhok:Alloc-dealloc bug in delrhok.

delrho: new call to delrhokp

linresscf: added delete of the wavefunctions files (in order to avoid overwritting and appends..). At the beginning of the iscf and at the end (for each atom).

660. By Sergio Illera Developer <email address hidden> on 2018-08-20

linresscf.f: addapted to the new delrho call

delrho: new version of implementation
delrhok: new sternheimer equation solution
 Added the save/read strategy in an optimized way
 LR.UseSavePsi true/false

delrhog: new sternheimer equation solution

659. By Sergio Illera Developer <email address hidden> on 2018-08-20

linresscf.f: there was defined two times the nscf linres maximum iterations for the scf loop

dynamat.F90: solved OPENMPI stuff

Last version using the old implementation of Sternheimer equation (using extra diag for deg states)...

658. By Sergio Illera Developer <email address hidden> on 2018-06-28

Merged to the max3-release series

Thanks to Alberto Garcia

Src/arch.make: deleted my path to Libxc

657. By Sergio Illera Developer <email address hidden> on 2018-06-28

Added LibXC test in the LR_TESTS folder