Author: Nick Papior
Revision Date: 2017-09-08 07:49:32 UTC

Merged trunk-r594-632

Author: Nick Papior
Revision Date: 2019-09-20 11:16:48 UTC

Merged 767-783

Author: Nick Papior
Revision Date: 2019-09-19 13:04:40 UTC

Removed the atomic-state method which should never be used

Retained the randomized initialization for experimental
use.

Author: Nick Papior
Revision Date: 2019-02-28 08:27:51 UTC

Finalized calculation of low-D stress tensors using the shaper routine

We now calculate the vacuum regions based on the shaper routine.
This results in very similar output for skewed lattice vectors.
See e.g. the two new tests.

  graphene_perp
  graphene_non_perp

Author: Nick Papior
Revision Date: 2018-04-17 13:35:57 UTC

Fixed error in calculation of S in NC calculations

Author: Nick Papior
Revision Date: 2016-06-07 07:33:14 UTC

When using ESM a citation is added

Author: Nick Papior
Revision Date: 2017-04-17 20:22:22 UTC

Merged trunk r616-617

Author: Nick Papior
Revision Date: 2017-06-25 19:24:31 UTC

Updated several smaller parts to use the Kahan summation

These routines now use Kahan summation for their summations:

- dfscf (forces and stress)
- poison (total energy)
- spin-orbit (initial calculation of energy)
- siesta_analysis (charge)