Skip to content

Commit

Permalink
formatted comments
Browse files Browse the repository at this point in the history
  • Loading branch information
lmiq committed Mar 12, 2023
1 parent e48c517 commit fcb7dad
Show file tree
Hide file tree
Showing 14 changed files with 22 additions and 26 deletions.
2 changes: 1 addition & 1 deletion src/forces.jl
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
"""
forces!(x::Vector{T},f::Vector{T},opt::Options) where T
forces!(x::Vector{T},f::Vector{T},opt::Options) where T
Subroutine that computes the force. It modifies the input `f` vector.
Expand Down
2 changes: 1 addition & 1 deletion src/image.jl
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
"""
image(x,sides)
image(x,sides)
Move coordinates to minimum perioddic image.
Expand Down
7 changes: 2 additions & 5 deletions src/init_velocities.jl
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
"""
init_velocities(sys::System{T},opt::Options) where T
init_velocities(sys::System{T},opt::Options) where T
Initialize velocities with random distribution.
Expand Down Expand Up @@ -28,10 +28,7 @@ function init_velocities(sys::System{T}, opt::Options) where {T}
end

"""
```
function random_rotate(v)
```
random_rotate(v)
Randomly rotate vector `v`, which might be a `Point2D` or a `Point3D`
Expand Down
2 changes: 1 addition & 1 deletion src/kinetic.jl
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
"""
kinetic(v)
kinetic(v)
Function that computes the kinetic energy given a velocity vector `v`.
Expand Down
3 changes: 1 addition & 2 deletions src/mc.jl
Original file line number Diff line number Diff line change
@@ -1,6 +1,5 @@

"""
mc(sys::System{T},opt=Options=Options()) where T
mc(sys::System{T},opt=Options=Options()) where T
Peforms a Monte-Carlos simulation.
Expand Down
2 changes: 1 addition & 1 deletion src/md-berendsen.jl
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
"""
md_berendsen(sys::System{T},opt::Options) where T
md_berendsen(sys::System{T},opt::Options) where T
Performs a MD simulation with a Berendsen bath.
Expand Down
2 changes: 1 addition & 1 deletion src/md-isokinetic.jl
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
"""
md_isokinetic(sys::System{T},opt::Options) where T
md_isokinetic(sys::System{T},opt::Options) where T
Performs a MD simulation with an isokinetic bath.
Expand Down
2 changes: 1 addition & 1 deletion src/md-langevin.jl
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
"""
md_langevin(sys::System{T},opt::Options) where T
md_langevin(sys::System{T},opt::Options) where T
Performs a MD simulation with a Langevin bath.
Expand Down
2 changes: 1 addition & 1 deletion src/md-simple.jl
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
"""
md(sys::System{T},opt::Options) where T
md(sys::System{T},opt::Options) where T
Performs a simple MD simulation.
Expand Down
2 changes: 1 addition & 1 deletion src/minimize.jl
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
"""
minimize!(sys::System{T},opt::Options)
minimize!(sys::System{T},opt::Options)
Minimizes the potential energy of `sys.x0`. Modifies `sys.x0`.
Expand Down
2 changes: 1 addition & 1 deletion src/potential.jl
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
"""
potential(x::Vector{T},sys::System{T},opt::Options) where T
potential(x::Vector{T},sys::System{T},opt::Options) where T
Function that computes the potential energy given a vector of positions, `x`.
Expand Down
6 changes: 3 additions & 3 deletions src/printxyz.jl
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
"""
printxyz(time,x,v,sys,traj_file_buffer,vel_file_buffer)
printxyz(time,x,v,sys,traj_file_buffer,vel_file_buffer)
Subroutine that writes the current coordinates *and* velocities to
output files, previously opened in respective buffers.
Expand All @@ -26,7 +26,7 @@ end


"""
printxyz(time,x,sys,traj_file_buffer)
printxyz(time,x,sys,traj_file_buffer)
Subroutine that writes the current coordinates (or velocities) to
output files, previously opened in respective buffers.
Expand All @@ -47,7 +47,7 @@ function printxyz(time, x, sys, traj_file_buffer)
end

"""
printxyz(x,sys,file::String)
printxyz(x,sys,file::String)
Prints one set of coordinates (or velocities), given in `x` to file `file`. Overwrites
the file.
Expand Down
12 changes: 6 additions & 6 deletions src/radial_distribution.jl
Original file line number Diff line number Diff line change
@@ -1,10 +1,10 @@
"""
radial_distribution(
sys::System{T},
trajfile::String;
dmax::Float64=10.,
nbins::Int=100
) where T
radial_distribution(
sys::System{T},
trajfile::String;
dmax::Float64=10.,
nbins::Int=100
) where T
Computes the g(r). If `T=Point3D` the system will be read as three-dimensional.
Expand Down
2 changes: 1 addition & 1 deletion src/remove_drift.jl
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
"""
remove_drift!(v)
remove_drift!(v)
Removes possible drift from velocities.
Expand Down

0 comments on commit fcb7dad

Please sign in to comment.