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pure subroutine, public | force_field_kind_types::allocate_bend_kind_set (bend_kind_set, nkind) |
| Allocate and initialize a bend kind set. More...
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pure subroutine, public | force_field_kind_types::allocate_bond_kind_set (bond_kind_set, nkind) |
| Allocate and initialize a bond kind set. More...
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pure subroutine, public | force_field_kind_types::allocate_torsion_kind_set (torsion_kind_set, nkind) |
| Allocate and initialize a torsion kind set. More...
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pure subroutine, public | force_field_kind_types::allocate_ub_kind_set (ub_kind_set, nkind) |
| Allocate and initialize a ub kind set. More...
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pure subroutine, public | force_field_kind_types::allocate_impr_kind_set (impr_kind_set, nkind) |
| Allocate and initialize a impr kind set. More...
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pure subroutine, public | force_field_kind_types::allocate_opbend_kind_set (opbend_kind_set, nkind) |
| Allocate and initialize a opbend kind set. More...
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pure subroutine, public | force_field_kind_types::deallocate_bend_kind_set (bend_kind_set) |
| Deallocate a bend kind set. More...
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pure subroutine, public | force_field_kind_types::deallocate_bond_kind_set (bond_kind_set) |
| Deallocate a bond kind set. More...
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pure subroutine, public | force_field_kind_types::torsion_kind_dealloc_ref (torsion_kind) |
| Deallocate a torsion kind element. More...
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pure subroutine, public | force_field_kind_types::ub_kind_dealloc_ref (ub_kind_set) |
| Deallocate a ub kind set. More...
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pure subroutine, public | force_field_kind_types::impr_kind_dealloc_ref () |
| Deallocate a impr kind element. More...
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integer, parameter, public | force_field_kind_types::do_ff_undef = 0 |
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integer, parameter, public | force_field_kind_types::do_ff_quartic = 1 |
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integer, parameter, public | force_field_kind_types::do_ff_g96 = 2 |
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integer, parameter, public | force_field_kind_types::do_ff_charmm = 3 |
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integer, parameter, public | force_field_kind_types::do_ff_harmonic = 4 |
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integer, parameter, public | force_field_kind_types::do_ff_g87 = 5 |
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integer, parameter, public | force_field_kind_types::do_ff_morse = 6 |
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integer, parameter, public | force_field_kind_types::do_ff_cubic = 7 |
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integer, parameter, public | force_field_kind_types::do_ff_mixed_bend_stretch = 8 |
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integer, parameter, public | force_field_kind_types::do_ff_amber = 9 |
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integer, parameter, public | force_field_kind_types::do_ff_mm2 = 10 |
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integer, parameter, public | force_field_kind_types::do_ff_mm3 = 11 |
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integer, parameter, public | force_field_kind_types::do_ff_mm4 = 12 |
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integer, parameter, public | force_field_kind_types::do_ff_fues = 13 |
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integer, parameter, public | force_field_kind_types::do_ff_legendre = 14 |
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integer, parameter, public | force_field_kind_types::do_ff_opls = 15 |
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