lp:~aakhtar/siesta/spglib-inclusion

Created by Arsalan Akhtar and last modified
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Owner:
Arsalan Akhtar
Project:
Siesta
Status:
Development

Recent revisions

486. By aakhtar <email address hidden>

Space group Test folder added

485. By matthieu verstraete

example siesta input file group 47

484. By matthieu verstraete

Import octopus input examples for all space groups

these will be transformed into siesta format and included as an extensive atomic test suite
for the spglib inclusion.

483. By matthieu verstraete

add input var for symmetry tolerance

482. By matthieu verstraete

improve input variable for sym imposition

481. By matthieu verstraete

merged trunk

480. By matthieu verstraete

merged trunk

479. By matthieu verstraete

separate spglib interface and siesta specific calls better.

478. By matthieu verstraete

updates of interface layer f90 with spglib

477. By matthieu verstraete

wrap spglib in CPP and clean code
without -DSIESTA__HAS__SPGLIB the m_syms module is empty and not called upon
the spglib_f03 is always compiled, but this is not a problem as the interfaces are simply defined, not used
Have tried to run 1 test with and without the CPP directive, and it works

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