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Searched refs:write_grrm (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dgrrm_utils.F23 PUBLIC :: write_grrm
40 SUBROUTINE write_grrm(iounit, particles, energy, dipole, hessian, dipder, polar) subroutine
117 END SUBROUTINE write_grrm
H A Dforce_env_methods.F86 USE grrm_utils, ONLY: write_grrm
439 CALL write_grrm(print_grrm, particles%els, e_pot)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dgrrm_utils.F27 PUBLIC :: write_grrm
46 SUBROUTINE write_grrm(iounit, force_env, particles, energy, dipole, hessian, dipder, polar, & subroutine
141 END SUBROUTINE write_grrm
H A Dforce_env_methods.F86 USE grrm_utils, ONLY: write_grrm
459 … CALL write_grrm(print_grrm, force_env, particles%els, e_pot, fixed_atoms=nfixed_atoms_total)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/
H A Dvibrational_analysis.F47 USE grrm_utils, ONLY: write_grrm
419 CALL write_grrm(print_grrm, f_env%force_env, particles, minimum_energy, &
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/
H A Dvibrational_analysis.F47 USE grrm_utils, ONLY: write_grrm
417 CALL write_grrm(print_grrm, particles, minimum_energy, hessian=Hint1)