fp_types::fp_type Type Reference

Data Fields
logical	use_fp = .FALSE.
integer	central_atom = -1
integer, dimension(:), pointer	inner_atoms => NULL()
integer, dimension(:), pointer	outer_atoms => NULL()
real(kind=dp)	inner_radius = 0.0_dp
real(kind=dp)	outer_radius = 0.0_dp
real(kind=dp)	strength = 0.0_dp
real(kind=dp)	smooth_width = 0.0_dp
logical	bias = .FALSE.
real(kind=dp)	temperature = 0.0_dp
type(section_vals_type), pointer	print_section => NULL()
integer	i1 = -1
integer	i2 = -1
integer	o1 = -1
integer	o2 = -1
real(kind=dp)	ri1 = 0.0_dp
real(kind=dp)	ri2 = 0.0_dp
real(kind=dp)	ro1 = 0.0_dp
real(kind=dp)	ro2 = 0.0_dp
real(kind=dp)	weight = 0.0_dp
real(kind=dp)	comb_weight = 0.0_dp
real(kind=dp)	bias_weight = 0.0_dp
real(kind=dp)	energy = 0.0_dp
real(kind=dp)	bias_energy = 0.0_dp
real(kind=dp)	restraint_energy = 0.0_dp

Detailed Description

Definition at line 37 of file fp_types.F.

Field Documentation

use_fp

logical fp_types::fp_type::use_fp = .FALSE.

Definition at line 40 of file fp_types.F.

central_atom

integer fp_types::fp_type::central_atom = -1

Definition at line 42 of file fp_types.F.

inner_atoms

integer, dimension(:), pointer fp_types::fp_type::inner_atoms => NULL()

Definition at line 43 of file fp_types.F.

outer_atoms

integer, dimension(:), pointer fp_types::fp_type::outer_atoms => NULL()

Definition at line 43 of file fp_types.F.

inner_radius

real(kind=dp) fp_types::fp_type::inner_radius = 0.0_dp

Definition at line 44 of file fp_types.F.

outer_radius

real(kind=dp) fp_types::fp_type::outer_radius = 0.0_dp

Definition at line 44 of file fp_types.F.

strength

real(kind=dp) fp_types::fp_type::strength = 0.0_dp

Definition at line 45 of file fp_types.F.

smooth_width

real(kind=dp) fp_types::fp_type::smooth_width = 0.0_dp

Definition at line 45 of file fp_types.F.

bias

logical fp_types::fp_type::bias = .FALSE.

Definition at line 46 of file fp_types.F.

temperature

real(kind=dp) fp_types::fp_type::temperature = 0.0_dp

Definition at line 47 of file fp_types.F.

print_section

type(section_vals_type), pointer fp_types::fp_type::print_section => NULL()

Definition at line 48 of file fp_types.F.

i1

integer fp_types::fp_type::i1 = -1

Definition at line 51 of file fp_types.F.

i2

integer fp_types::fp_type::i2 = -1

Definition at line 51 of file fp_types.F.

o1

integer fp_types::fp_type::o1 = -1

Definition at line 51 of file fp_types.F.

o2

integer fp_types::fp_type::o2 = -1

Definition at line 51 of file fp_types.F.

ri1

real(kind=dp) fp_types::fp_type::ri1 = 0.0_dp

Definition at line 52 of file fp_types.F.

ri2

real(kind=dp) fp_types::fp_type::ri2 = 0.0_dp

Definition at line 52 of file fp_types.F.

ro1

real(kind=dp) fp_types::fp_type::ro1 = 0.0_dp

Definition at line 52 of file fp_types.F.

ro2

real(kind=dp) fp_types::fp_type::ro2 = 0.0_dp

Definition at line 52 of file fp_types.F.

weight

real(kind=dp) fp_types::fp_type::weight = 0.0_dp

Definition at line 53 of file fp_types.F.

comb_weight

real(kind=dp) fp_types::fp_type::comb_weight = 0.0_dp

Definition at line 53 of file fp_types.F.

bias_weight

real(kind=dp) fp_types::fp_type::bias_weight = 0.0_dp

Definition at line 53 of file fp_types.F.

energy

real(kind=dp) fp_types::fp_type::energy = 0.0_dp

Definition at line 54 of file fp_types.F.

bias_energy

real(kind=dp) fp_types::fp_type::bias_energy = 0.0_dp

Definition at line 54 of file fp_types.F.

restraint_energy

real(kind=dp) fp_types::fp_type::restraint_energy = 0.0_dp

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