diff --git a/src/motion/vibrational_analysis.F b/src/motion/vibrational_analysis.F index f699ec03d5..8a30df1edd 100644 --- a/src/motion/vibrational_analysis.F +++ b/src/motion/vibrational_analysis.F @@ -71,8 +71,8 @@ MODULE vibrational_analysis USE particle_methods, ONLY: write_particle_matrix USE particle_types, ONLY: particle_type USE physcon, ONLY: & - a_bohr, angstrom, bohr, boltzmann, debye, e_mass, h_bar, hertz, kelvin, kjmol, massunit, & - n_avogadro, pascal, vibfac, wavenumbers, c_light, joule + a_bohr, angstrom, bohr, boltzmann, c_light, debye, e_mass, h_bar, hertz, joule, kelvin, & + kjmol, massunit, n_avogadro, pascal, vibfac, wavenumbers USE replica_methods, ONLY: rep_env_calc_e_f,& rep_env_create USE replica_types, ONLY: rep_env_release,& @@ -881,7 +881,7 @@ CONTAINS WRITE (UNIT=iw, FMT="(T2,'VIB|Red.Masses (a.u.)',3(1X,F12.6,8X))") & (m(icol), icol=from, to) WRITE (UNIT=iw, FMT="(T2,'VIB|Frc consts (a.u.)',3(1X,F12.6,8X))") & - (k(icol), icol=from, to) + (k(icol), icol=from, to) WRITE (UNIT=iw, FMT="(T2,' ATOM',2X,'EL',7X,3(4X,' X ',1X,' Y ',1X,' Z '))") DO iatom = 1, natom, 3 katom = iatom/3