lp:~aakhtar/siesta/spglib-inclusion
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Arsalan Akhtar
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- 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. - 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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