~dikan.va/siesta/thtr-func-self-test-example-Jks

Viewing all changes in revision 780.

  • Committer: Vladimir Dikan
  • Date: 2019-09-28 17:49:12 UTC
  • Revision ID: vdikan@icmab.es-20190928174912-6poi1ogn8vllq8g1
rearrange virtual step data & subroutines 

In order to resolve circular imports, virtual_step_md is split into
modules for interstitial system data storage and procedures.

Trivial subriutins for saving/restoring parameters of system in
question between Base and Virtual steps (forces, positions,
velocities) are moved out of m_virtual_step_procs and put under siesta
program contains-statement for clarity.

expand all expand all

Show diffs side-by-side

added added

removed removed

Lines of Context: