!     Calculation of temperature and averaged energies
!     Energies in eV/particle, Temperature in K.
!     You can modify this to calculate temperature
!     for atoms with KHIST(J)=2 only.
!     MSE 6270, Leonid Zhigilei

      SUBROUTINE TEMPER(ENT,QINT,POTT,TEMPTR)
      INCLUDE 'common.h'

      POTT=0.0d0
      QINT=0.0d0

      ent_loop: DO I=1,NAN
        POTT=POTT+POT(I)
        QINT=QINT+QIN(I)
      END DO ent_loop

      QINT=QINT*ENUNIT
      POTT=POTT*ENUNIT
      ENT=QINT+POTT
      IF(KBOUND.EQ.0.OR.NRIGID.EQ.0) Then
        TEMPTR=QINT*2.0d0/BK/NDIM/real(NAN)
      ElseIF (NRIGID.GE.NAN) Then
        TEMPTR=0.0d0
      Else
        TEMPTR=QINT*2.0d0/BK/NDIM/real(NAN-NRIGID)
      END IF

      RETURN
      END