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pbc.bend checks

raw source on the hub · import 0xdf198d67659100c90a58ecd6b01d034d/pbc.bend as Pbc

4 imports
import Base
import ./geom.bend as G
import ./protein.bend as P
import ./force.bend as F

Definitions

def mic1d source · line 13 · raw

@+d:F32 -> @+len:F32 -> F32

def mic_vec source · line 16 · raw

@+d:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+box:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> 0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3

def mic_dist2 source · line 21 · raw

@+a:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+b:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+box:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> F32

def lj_pair_pbc source · line 24 · raw

@+pi:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+pj:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+eps:F32 -> @+sig2:F32 -> @+c2:F32 -> @+box:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> F32

def lj_head_pbc source · line 28 · raw

@+pi:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+eps:F32 -> @+sig2:F32 -> @+c2:F32 -> @+box:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @h:0xdf198d67659100c90a58ecd6b01d034d/protein.Atom -> F32

def lj_row_pbc source · line 33 · raw

@+pi:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+eps:F32 -> @+sig2:F32 -> @+c2:F32 -> @+box:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @ys:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> F32

def lj_self_atom_pbc source · line 40 · raw

@h:0xdf198d67659100c90a58ecd6b01d034d/protein.Atom -> @+ys:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @+eps:F32 -> @+sig2:F32 -> @+c2:F32 -> @+box:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> F32

def lj_total_pbc source · line 45 · raw

@xs:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @+ys:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @+eps:F32 -> @+sig2:F32 -> @+c2:F32 -> @+box:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> F32

def lj_fat_pbc source · line 52 · raw

@+pi:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+pj:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+eps:F32 -> @+sig2:F32 -> @+c2:F32 -> @+box:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> 0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3

def lj_fhead_pbc source · line 57 · raw

@+pi:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+eps:F32 -> @+sig2:F32 -> @+c2:F32 -> @+box:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @h:0xdf198d67659100c90a58ecd6b01d034d/protein.Atom -> 0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3

def lj_frow_pbc source · line 62 · raw

@+pi:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @+eps:F32 -> @+sig2:F32 -> @+c2:F32 -> @+box:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> @ys:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> 0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3

def lj_fself_atom_pbc source · line 69 · raw

@h:0xdf198d67659100c90a58ecd6b01d034d/protein.Atom -> @+ys:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @+eps:F32 -> @+sig2:F32 -> @+c2:F32 -> @+box:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> 0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3

def lj_forces_pbc source · line 74 · raw

@xs:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @+ys:List<&2, 0xdf198d67659100c90a58ecd6b01d034d/protein.Atom> -> @+eps:F32 -> @+sig2:F32 -> @+c2:F32 -> @+box:0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3 -> List<&2, 0xdf198d67659100c90a58ecd6b01d034d/geom.Vec3>