_flib

This module ‘_flib’ is auto-generated with f2py (version:1.25.2). Functions:

c = vacf(v,m,c,method,use_m,nthreads=,natoms=shape(v, 1),nstep=shape(v, 0)) c = vect_loops(v,natoms=shape(v, 1),nstep=shape(v, 0)) c = acorr(v,c,method,norm,nstep=shape(v, 0)) dsq = distsq(arrx,arry,dsq,nx=shape(arrx, 0),ny=shape(arry, 0),ndim=shape(arrx, 1)) anglesijk = angles(distvecs,dists,mask_val,deg,anglesijk,natoms=shape(distvecs, 0),overwrite_anglesijk=1) distsq,distvecs,distvecs_frac = distsq_frac(coords_frac,cell,pbc,distsq,distvecs,distvecs_frac,natoms=shape(coords_frac, 0),overwrite_distsq=1,overwrite_distvecs=1,overwrite_distvecs_frac=1) dists = distances_traj(coords_frac,cell,pbc,dists,natoms=shape(coords_frac, 1),nstep=shape(coords_frac, 0),overwrite_dists=1) xx = solve(aa,bb,nn=shape(aa, 0)) coords = frac2cart(coords_frac,cell,natoms=shape(coords_frac, 0)) coords_frac = cart2frac(coords,cell,natoms=shape(coords, 0)) coords = frac2cart_traj(coords_frac,cell,nstep=shape(coords_frac, 0),natoms=shape(coords_frac, 1)) coords_frac = cart2frac_traj(coords,cell,nstep=shape(coords, 0),natoms=shape(coords, 1))

.

acorr	c = acorr(v,c,method,norm,[nstep])
angles	anglesijk = angles(distvecs,dists,mask_val,deg,anglesijk,[natoms,overwrite_anglesijk])
cart2frac	coords_frac = cart2frac(coords,cell,[natoms])
cart2frac_traj	coords_frac = cart2frac_traj(coords,cell,[nstep,natoms])
distances_traj	dists = distances_traj(coords_frac,cell,pbc,dists,[natoms,nstep,overwrite_dists])
distsq	dsq = distsq(arrx,arry,dsq,[nx,ny,ndim])
distsq_frac	distsq,distvecs,distvecs_frac = distsq_frac(coords_frac,cell,pbc,distsq,distvecs,distvecs_frac,[natoms,overwrite_distsq,overwrite_distvecs,overwrite_distvecs_frac])
frac2cart	coords = frac2cart(coords_frac,cell,[natoms])
frac2cart_traj	coords = frac2cart_traj(coords_frac,cell,[nstep,natoms])
solve	xx = solve(aa,bb,[nn])
vacf	c = vacf(v,m,c,method,use_m,[nthreads,natoms,nstep])
vect_loops	c = vect_loops(v,[natoms,nstep])