fp_types::fp_type Type Reference

Data Fields
logical	use_fp
integer	central_atom
integer, dimension(:), pointer	inner_atoms
integer, dimension(:), pointer	outer_atoms
real(kind=dp)	inner_radius
real(kind=dp)	outer_radius
real(kind=dp)	strength
real(kind=dp)	smooth_width
logical	bias
real(kind=dp)	temperature
type(section_vals_type), pointer	print_section
integer	i1
integer	i2
integer	o1
integer	o2
real(kind=dp)	ri1
real(kind=dp)	ri2
real(kind=dp)	ro1
real(kind=dp)	ro2
real(kind=dp)	weight
real(kind=dp)	comb_weight
real(kind=dp)	bias_weight
real(kind=dp)	energy
real(kind=dp)	bias_energy
real(kind=dp)	restraint_energy

Detailed Description

Definition at line 37 of file fp_types.F.

Field Documentation

use_fp

logical fp_types::fp_type::use_fp

Definition at line 40 of file fp_types.F.

central_atom

integer fp_types::fp_type::central_atom

Definition at line 42 of file fp_types.F.

inner_atoms

integer, dimension(:), pointer fp_types::fp_type::inner_atoms

Definition at line 43 of file fp_types.F.

outer_atoms

integer, dimension(:), pointer fp_types::fp_type::outer_atoms

Definition at line 43 of file fp_types.F.

inner_radius

real(kind=dp) fp_types::fp_type::inner_radius

Definition at line 44 of file fp_types.F.

outer_radius

real(kind=dp) fp_types::fp_type::outer_radius

Definition at line 44 of file fp_types.F.

strength

real(kind=dp) fp_types::fp_type::strength

Definition at line 45 of file fp_types.F.

smooth_width

real(kind=dp) fp_types::fp_type::smooth_width

Definition at line 45 of file fp_types.F.

bias

logical fp_types::fp_type::bias

Definition at line 46 of file fp_types.F.

temperature

real(kind=dp) fp_types::fp_type::temperature

Definition at line 47 of file fp_types.F.

print_section

type(section_vals_type), pointer fp_types::fp_type::print_section

Definition at line 48 of file fp_types.F.

i1

integer fp_types::fp_type::i1

Definition at line 51 of file fp_types.F.

i2

integer fp_types::fp_type::i2

Definition at line 51 of file fp_types.F.

o1

integer fp_types::fp_type::o1

Definition at line 51 of file fp_types.F.

o2

integer fp_types::fp_type::o2

Definition at line 51 of file fp_types.F.

ri1

real(kind=dp) fp_types::fp_type::ri1

Definition at line 52 of file fp_types.F.

ri2

real(kind=dp) fp_types::fp_type::ri2

Definition at line 52 of file fp_types.F.

ro1

real(kind=dp) fp_types::fp_type::ro1

Definition at line 52 of file fp_types.F.

ro2

real(kind=dp) fp_types::fp_type::ro2

Definition at line 52 of file fp_types.F.

weight

real(kind=dp) fp_types::fp_type::weight

Definition at line 53 of file fp_types.F.

comb_weight

real(kind=dp) fp_types::fp_type::comb_weight

Definition at line 53 of file fp_types.F.

bias_weight

real(kind=dp) fp_types::fp_type::bias_weight

Definition at line 53 of file fp_types.F.

energy

real(kind=dp) fp_types::fp_type::energy

Definition at line 54 of file fp_types.F.

bias_energy

real(kind=dp) fp_types::fp_type::bias_energy

Definition at line 54 of file fp_types.F.

restraint_energy

real(kind=dp) fp_types::fp_type::restraint_energy

Definition at line 54 of file fp_types.F.

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The documentation for this type was generated from the following file:

• fp_types.F