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Conversion factors

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This commit is contained in:
Anthony Scemama 2023-02-16 10:46:16 +01:00
parent 9a429e35c8
commit 80346a781d
1 changed files with 22 additions and 0 deletions
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src/utils/units.irp.f Normal file
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BEGIN_PROVIDER [double precision, ha_to_ev]
implicit none
BEGIN_DOC
! Converstion from Hartree to eV
END_DOC
ha_to_ev = 27.211396641308d0
END_PROVIDER
BEGIN_PROVIDER [double precision, au_to_D]
implicit none
BEGIN_DOC
! Converstion from au to Debye
END_DOC
au_to_D = 2.5415802529d0
END_PROVIDER