|
Simulation of H2 with two sites model
|
|
5
|
28
|
September 23, 2021
|
|
the simulation of models with oxygen vacancies
|
|
3
|
21
|
September 22, 2021
|
|
OpenKIM Seeking Computational Researcher
|
|
0
|
30
|
August 19, 2021
|
|
Re: Issues with Simulation Speed
|
|
0
|
38
|
August 7, 2021
|
|
Issues with Simulation Speed
|
|
1
|
58
|
August 3, 2021
|
|
Van der Waals interactions neighbours list & scale factor
|
|
4
|
47
|
August 2, 2021
|
|
Simulating strain
|
|
0
|
29
|
July 9, 2021
|
|
Puzzling pseudothermostats in DL_POLY
|
|
0
|
41
|
June 3, 2021
|
|
how to Fix the parameter mxexcl
|
|
0
|
43
|
June 3, 2021
|
|
get ionic temperature and electronic temperature in ttm
|
|
1
|
44
|
June 2, 2021
|
|
inaugural TYC-MMM "Software Spotlight"
|
|
0
|
70
|
May 5, 2021
|
|
NVE simulations in DLPOLY Classic 1.10
|
|
2
|
63
|
May 3, 2021
|
|
DPD model of multi-walled carbon nanotubes
|
|
8
|
68
|
April 23, 2021
|
|
GUI
|
|
3
|
57
|
April 21, 2021
|
|
magnitude of Core - shell charges
|
|
3
|
62
|
April 21, 2021
|
|
Re: [EXTERNAL] Simulation of melting process
|
|
0
|
44
|
April 21, 2021
|
|
Simulation of melting process
|
|
2
|
53
|
April 20, 2021
|
|
error 52
|
|
3
|
59
|
March 6, 2021
|
|
test cases
|
|
2
|
91
|
March 6, 2021
|
|
DL_POLY_4 5.0.0 released
|
|
0
|
202
|
February 28, 2021
|
|
CoSeC Impact Award 2021 - additional £250 prize for winner
|
|
1
|
88
|
February 10, 2021
|
|
Diffusion factor
|
|
0
|
89
|
January 12, 2021
|
|
TIP4P/2005 water in dlpoly
|
|
3
|
139
|
December 23, 2020
|
|
Re: frozen coordiates of a atom
|
|
7
|
132
|
December 11, 2020
|
|
Re：Re: frozen coordiates of a atom
|
|
0
|
68
|
December 10, 2020
|
|
frozen coordiates of a atom
|
|
0
|
88
|
December 10, 2020
|
|
Query
|
|
0
|
99
|
December 7, 2020
|
|
SIGSEGV segmentation fault
|
|
6
|
301
|
December 1, 2020
|
|
SIGSEGV segmentation fault after build of DL_POLY 4
|
|
2
|
163
|
November 26, 2020
|
|
Re: Unable to run DLPOLY using Terminal on Ubuntu
|
|
0
|
99
|
November 16, 2020
|
