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subroutine, public | qs_force_types::allocate_qs_force (qs_force, natom_of_kind) |
| Allocate a Quickstep force data structure. More...
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subroutine, public | qs_force_types::deallocate_qs_force (qs_force) |
| Deallocate a Quickstep force data structure. More...
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subroutine, public | qs_force_types::zero_qs_force (qs_force) |
| Initialize a Quickstep force data structure. More...
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subroutine, public | qs_force_types::sum_qs_force (qs_force_out, qs_force_in) |
| Sum up two qs_force entities qs_force_out = qs_force_out + qs_force_in. More...
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subroutine, public | qs_force_types::replicate_qs_force (qs_force, para_env) |
| Replicate and sum up the force. More...
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subroutine, public | qs_force_types::add_qs_force (force, qs_force, forcetype, atomic_kind_set) |
| Add force to a force_type variable. More...
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subroutine, public | qs_force_types::put_qs_force (force, qs_force, forcetype, atomic_kind_set) |
| Put force to a force_type variable. More...
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subroutine, public | qs_force_types::get_qs_force (force, qs_force, forcetype, atomic_kind_set) |
| Get force from a force_type variable. More...
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subroutine, public | qs_force_types::total_qs_force (force, qs_force, atomic_kind_set) |
| Get current total force. More...
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subroutine, public | qs_force_types::write_forces_debug (qs_force, ikind, iatom, iunit) |
| Write a Quickstep force data for 1 atom. More...
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