Skip to content

Commit

Permalink
Inserted a couple of references
Browse files Browse the repository at this point in the history
  • Loading branch information
Michael-P-Allen committed Jan 11, 2024
1 parent 56ede33 commit d6bb6f4
Show file tree
Hide file tree
Showing 4 changed files with 10 additions and 2 deletions.
3 changes: 2 additions & 1 deletion GUIDE.md
Original file line number Diff line number Diff line change
Expand Up @@ -984,7 +984,8 @@ The function is included in the `dpd` program,
and the expected value of _P_ (labelled EOS below)
is printed for comparison at the end.
We give results obtained by both
the Lowe thermostat (L) and the Shardlow algorithm (S).
the [Lowe thermostat](https://doi.org/10.1209/epl/i1999-00365-x) (L)
and the [Shardlow algorithm](https://doi.org/10.1137/S1064827501392879) (S).
We take the default values of _a_ ρ/T=75, and of other parameters not mentioned below.

_T_ | ρ | _P_ (EOS) | _P_ (L) | _P_ (S)
Expand Down
2 changes: 2 additions & 0 deletions dpd_module.f90
Original file line number Diff line number Diff line change
Expand Up @@ -213,6 +213,7 @@ SUBROUTINE lowe ( box, temperature, gamma_step )
REAL, INTENT(in) :: gamma_step ! Pair selection probability = Gamma * timestep

! Apply pairwise Lowe-Andersen thermostat to velocities stored in array v
! CP Lowe, Europhys Lett, 47, 145 (1999).

! It is assumed that positions in the array r are in units where box = 1
! and that the array ij contains a list of all np pairs within range
Expand Down Expand Up @@ -262,6 +263,7 @@ SUBROUTINE shardlow ( box, temperature, gamma_step )
REAL, INTENT(in) :: gamma_step ! Gamma * timestep

! Implements the Shardlow integration algorithm for velocities stored in array v
! T Shardlow, SIAM J Sci Comput, 24, 1267 (2003).

! It is assumed that positions in the array r are in units where box = 1
! and that the array ij contains a list of all np pairs within range
Expand Down
3 changes: 2 additions & 1 deletion python_examples/GUIDE.md
Original file line number Diff line number Diff line change
Expand Up @@ -890,7 +890,8 @@ The function is included in the `dpd` program,
and the expected value of _P_ (labelled EOS below)
is printed for comparison at the end.
We give results obtained by both
the Lowe thermostat (L) and the Shardlow algorithm (S).
the [Lowe thermostat](https://doi.org/10.1209/epl/i1999-00365-x) (L)
and the [Shardlow algorithm](https://doi.org/10.1137/S1064827501392879) (S).
Results below were obtained with runs of 10 blocks, each 10000 steps
as for the Fortran examples (program default is 10×1000).
We take the default values of _a_ ρ/T=75, and of other parameters not mentioned below.
Expand Down
4 changes: 4 additions & 0 deletions python_examples/dpd_module.py
Original file line number Diff line number Diff line change
Expand Up @@ -131,6 +131,8 @@ def lowe ( box, temperature, gamma_step, v, pairs ):
(but necessary, since the operations are supposed to be sequential).
"""

# CP Lowe, Europhys Lett, 47, 145 (1999).

# It is assumed that the pairs list contains all pairs within range

import numpy as np
Expand All @@ -157,6 +159,8 @@ def shardlow ( box, temperature, gamma_step, v, pairs ):
(but necessary, since the operations are supposed to be sequential).
"""

# T Shardlow, SIAM J Sci Comput, 24, 1267 (2003).

# It is assumed that the pairs list contains all pairs within range

import numpy as np
Expand Down

0 comments on commit d6bb6f4

Please sign in to comment.