lp:siesta

Created by Nick Papior on 2017-10-06 and last modified on 2018-12-07
Get this branch:
bzr branch lp:siesta
Members of Siesta Maintainers can upload to this branch. Log in for directions.

Branch merges

Related bugs

Related blueprints

Branch information

Owner:
Siesta Maintainers
Project:
Siesta
Status:
Development

Recent revisions

752. By Alberto Garcia on 2018-12-07

Merge 4.1, r1049-1050: bond-currents docs; updated fdict, ncdf

751. By Alberto Garcia on 2018-12-07

Compliance of code to F2003 standard plus further cleaning

* Removal of non-f2003 constructs

   -- non-standard intrinsics: dcmplx, dconjg, dreal, etc
   -- non-standard extensions for POSIX calls (chdir, system, etc)
      These are now implemented using the 'iso_c_binding' module.
   -- non-standard variable declarations (real*8, etc)

* Avoid use of 'mpif.h' in MPI compilation. Replace by 'use mpi'

* Avoid compiler checks for reallocation on assignment: whole array
  assignments now use array-section syntax in the left-hand side.

* Fix of a number of potential interface problems

* Some dead code has been removed

* The code should now compile with only 'benign' warnings with the
  gfortran flags:

      FFLAGS= -std=f2003 -Wall -Wextra -Wrealloc-lhs-all

A sizable number of warnings refer to unused arguments and variables,
which have not been removed in this pass.

750. By Alberto Garcia on 2018-12-04

Merged r1047-1048: GNU-MKL compilation; molecularmechanics C10

749. By Alberto Garcia on 2018-12-02

Merged r1042-1046: lhs, nullification, docs

748. By Nick Papior on 2018-11-23

Added class_*3D to allow for NC/SOC transiesta implementation

This is required to save the temporary DM files.

747. By Nick Papior on 2018-11-22

Merged r1037-r1041, smaller fixes and change the default circle contour

746. By Nick Papior on 2018-11-12

Fixed makefile

745. By Nick Papior on 2018-11-09

Merged r1024-1036, GR-pulay, OMM-reuse and test updates

Fixed GR-pulay, OMM-psi reuse.

Updated all tests from 4.1 and fixed input options for nearly
all tests.

744. By Nick Papior on 2018-10-25

Merged r1022-1023, grid-cell-sampling grid and TSDE writes for fixspin

743. By Nick Papior on 2018-10-23

Merged r1018-1021, documentation updates

Branch metadata

Branch format:
Branch format 7
Repository format:
Bazaar repository format 2a (needs bzr 1.16 or later)
This branch contains Public information 
Everyone can see this information.