Searched refs:write_grrm (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | grrm_utils.F | 23 PUBLIC :: write_grrm 40 SUBROUTINE write_grrm(iounit, particles, energy, dipole, hessian, dipder, polar) subroutine 117 END SUBROUTINE write_grrm
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H A D | force_env_methods.F | 86 USE grrm_utils, ONLY: write_grrm 439 CALL write_grrm(print_grrm, particles%els, e_pot)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | grrm_utils.F | 27 PUBLIC :: write_grrm 46 SUBROUTINE write_grrm(iounit, force_env, particles, energy, dipole, hessian, dipder, polar, & subroutine 141 END SUBROUTINE write_grrm
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H A D | force_env_methods.F | 86 USE grrm_utils, ONLY: write_grrm 459 … CALL write_grrm(print_grrm, force_env, particles%els, e_pot, fixed_atoms=nfixed_atoms_total)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
H A D | vibrational_analysis.F | 47 USE grrm_utils, ONLY: write_grrm 419 CALL write_grrm(print_grrm, f_env%force_env, particles, minimum_energy, &
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
H A D | vibrational_analysis.F | 47 USE grrm_utils, ONLY: write_grrm 417 CALL write_grrm(print_grrm, particles, minimum_energy, hessian=Hint1)
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