diff --git a/GUIDE.md b/GUIDE.md index bc447b5..945a42e 100644 --- a/GUIDE.md +++ b/GUIDE.md @@ -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) diff --git a/dpd_module.f90 b/dpd_module.f90 index 6918852..6b4285e 100644 --- a/dpd_module.f90 +++ b/dpd_module.f90 @@ -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 @@ -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 diff --git a/python_examples/GUIDE.md b/python_examples/GUIDE.md index e8c1de2..a3dec6a 100644 --- a/python_examples/GUIDE.md +++ b/python_examples/GUIDE.md @@ -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. diff --git a/python_examples/dpd_module.py b/python_examples/dpd_module.py index 748c035..7eb7765 100644 --- a/python_examples/dpd_module.py +++ b/python_examples/dpd_module.py @@ -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 @@ -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