Allen-Tildesley examples issues

Allen-Tildesley / examples

Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Code" button, or follow the "Releases" link below.

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Applied all NumPy 2.0 fixes according to Ruff rule NPY201

#23 Allen-Tildesley closed 3 months ago
0
Make NumPy 2.0 changes to Python codes

#22 Michael-P-Allen opened 3 months ago
1
Replace RANDOM_SEED by RANDOM_INIT

#21 Michael-P-Allen closed 2 months ago
0
Replace FORALL statements

#20 Michael-P-Allen closed 2 months ago
0
Need to correct np.int in a few Python examples

#19 Michael-P-Allen closed 1 year ago
0
Minor dev

#18 Michael-P-Allen closed 2 years ago
0
add topics

#17 Beliavsky closed 2 years ago
1
Bug in link-list code

#16 Michael-P-Allen closed 4 years ago
2
Array reallocation with changing particle number

#15 Allen-Tildesley closed 4 years ago
0
Link list module with changing box size

#14 Allen-Tildesley closed 4 years ago
0
Long Range Corrections for Forces

#13 ommair closed 5 years ago
1
is there a mistake about the np.real ?

#12 connor-circle closed 5 years ago
3
Question about the code of md_nvt_lj.f90

#11 Stephen2252 closed 6 years ago
3
bug in md_nve_hs.f90 on lines 158-165

#10 ericsmoll closed 6 years ago
2
Add some advice and test results for the qmc_pi_lj example to the GUIDE

#9 Allen-Tildesley closed 7 years ago
0
Revise mc_nvt_poly_lj

#8 Allen-Tildesley closed 7 years ago
1
Consider adding Python version of mc_nvt_lj_re

#7 Allen-Tildesley closed 7 years ago
0
Consider adding Python version of Wang-Landau example

#6 Allen-Tildesley closed 7 years ago
1
Compiling failure using scons

#5 Alan-Rusty24 closed 7 years ago
7
Add Python version of MD program in NVT ensemble with Lees-Edwards boundaries

#4 Michael-P-Allen closed 7 years ago
0
Add Python version of Gibbs ensemble code

#3 Michael-P-Allen closed 7 years ago
0
Moving grint_data.zip

#2 Michael-P-Allen closed 7 years ago
1
Compilation issues

#1 vkhodygo closed 7 years ago
2