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bhourahine committed Feb 3, 2024
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2 changes: 2 additions & 0 deletions src/dftbp/dftbplus/inputdata.F90
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Expand Up @@ -335,6 +335,8 @@ module dftbp_dftbplus_inputdata

!> Whether to initialize internal state of the Nose-Hoover thermostat from input
logical :: tInitNHC = .false.

!> Internal state variables for the Nose-Hoover chain thermostat
real(dp), allocatable :: xnose(:)
real(dp), allocatable :: vnose(:)
real(dp), allocatable :: gnose(:)
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