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Searched refs:print_grrm (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/
H A Dvibrational_analysis.F110 output_unit, output_unit_eig, prep, print_grrm, print_scine, proc_dist_type local
401 print_grrm = cp_print_key_unit_nr(logger, force_env_section, "PRINT%GRRM", &
403 IF (print_grrm > 0) THEN
419 CALL write_grrm(print_grrm, f_env%force_env, particles, minimum_energy, &
423 CALL cp_print_key_finished_output(print_grrm, logger, force_env_section, "PRINT%GRRM")
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/
H A Dvibrational_analysis.F109 output_unit_eig, prep, print_grrm, proc_dist_type local
400 print_grrm = cp_print_key_unit_nr(logger, force_env_section, "PRINT%GRRM", &
402 IF (print_grrm > 0) THEN
417 CALL write_grrm(print_grrm, particles, minimum_energy, hessian=Hint1)
420 CALL cp_print_key_finished_output(print_grrm, logger, force_env_section, "PRINT%GRRM")
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dforce_env_methods.F212 print_forces, print_grrm local
434 print_grrm = cp_print_key_unit_nr(logger, force_env%force_env_section, "PRINT%GRRM", &
436 IF (print_grrm > 0) THEN
439 CALL write_grrm(print_grrm, particles%els, e_pot)
441 … CALL cp_print_key_finished_output(print_grrm, logger, force_env%force_env_section, "PRINT%GRRM")
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dforce_env_methods.F217 output_unit, print_forces, print_grrm, & local
443 print_grrm = cp_print_key_unit_nr(logger, force_env%force_env_section, "PRINT%GRRM", &
445 IF (print_grrm > 0) THEN
459 … CALL write_grrm(print_grrm, force_env, particles%els, e_pot, fixed_atoms=nfixed_atoms_total)
461 … CALL cp_print_key_finished_output(print_grrm, logger, force_env%force_env_section, "PRINT%GRRM")