| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
| H A D | cp_lbfgs_geo.F | 73 INTEGER :: handle, iter_nr, its, output_unit local
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| H A D | cg_optimizer.F | 122 INTEGER :: handle, iter_nr, its, max_steep_steps, & local
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| H A D | bfgs_optimizer.F | 110 iter_nr, its, maxiter, ndf, nfree, & local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
| H A D | cp_lbfgs_geo.F | 73 INTEGER :: handle, iter_nr, its, output_unit local
|
| H A D | cg_optimizer.F | 122 INTEGER :: handle, iter_nr, its, max_steep_steps, & local
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| H A D | bfgs_optimizer.F | 110 iter_nr, its, maxiter, ndf, nfree, & local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/input/ |
| H A D | cp_output_handling.F | 480 INTEGER :: add_last, ilevel, iter_nr, ival local
593 SUBROUTINE cp_iterate(iteration_info, last, iter_nr, increment, iter_nr_out) argument
596 INTEGER, INTENT(IN), OPTIONAL :: iter_nr, increment local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/input/ |
| H A D | cp_output_handling.F | 480 INTEGER :: add_last, ilevel, iter_nr, ival local
593 SUBROUTINE cp_iterate(iteration_info, last, iter_nr, increment, iter_nr_out) argument
596 INTEGER, INTENT(IN), OPTIONAL :: iter_nr, increment local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | metadynamics_utils.F | 865 SUBROUTINE get_meta_iter_level(meta_env, iter_nr) argument
867 INTEGER, INTENT(OUT) :: iter_nr local
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| H A D | metadynamics.F | 834 iter_nr, iw, n_colvar, n_hills_start, & local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | metadynamics_utils.F | 865 SUBROUTINE get_meta_iter_level(meta_env, iter_nr) argument
867 INTEGER, INTENT(OUT) :: iter_nr local
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| H A D | metadynamics.F | 835 iter_nr, iw, n_colvar, n_hills_start, & local
|