|
Simulation aborted due to Fortran runtime error
|
|
1
|
18
|
November 17, 2021
|
|
MSD simulations
|
|
0
|
22
|
November 9, 2021
|
|
core-shell problem with equilibration
|
|
1
|
20
|
November 4, 2021
|
|
Segmentation fault
|
|
2
|
26
|
November 1, 2021
|
|
Sanderson/User defined interatomic potential
|
|
3
|
39
|
October 19, 2021
|
|
DLPOLY4 / node/domain decomposition
|
|
2
|
32
|
October 19, 2021
|
|
Simulation of H2 with two sites model
|
|
5
|
42
|
September 23, 2021
|
|
the simulation of models with oxygen vacancies
|
|
3
|
37
|
September 22, 2021
|
|
OpenKIM Seeking Computational Researcher
|
|
0
|
38
|
August 19, 2021
|
|
Re: Issues with Simulation Speed
|
|
0
|
59
|
August 7, 2021
|
|
Issues with Simulation Speed
|
|
1
|
73
|
August 3, 2021
|
|
Van der Waals interactions neighbours list & scale factor
|
|
4
|
59
|
August 2, 2021
|
|
Simulating strain
|
|
0
|
39
|
July 9, 2021
|
|
Puzzling pseudothermostats in DL_POLY
|
|
0
|
57
|
June 3, 2021
|
|
how to Fix the parameter mxexcl
|
|
0
|
57
|
June 3, 2021
|
|
get ionic temperature and electronic temperature in ttm
|
|
1
|
57
|
June 2, 2021
|
|
inaugural TYC-MMM "Software Spotlight"
|
|
0
|
83
|
May 5, 2021
|
|
NVE simulations in DLPOLY Classic 1.10
|
|
2
|
74
|
May 3, 2021
|
|
DPD model of multi-walled carbon nanotubes
|
|
8
|
87
|
April 23, 2021
|
|
GUI
|
|
3
|
66
|
April 21, 2021
|
|
magnitude of Core - shell charges
|
|
3
|
77
|
April 21, 2021
|
|
Re: [EXTERNAL] Simulation of melting process
|
|
0
|
59
|
April 21, 2021
|
|
Simulation of melting process
|
|
2
|
70
|
April 20, 2021
|
|
error 52
|
|
3
|
68
|
March 6, 2021
|
|
test cases
|
|
2
|
111
|
March 6, 2021
|
|
DL_POLY_4 5.0.0 released
|
|
0
|
241
|
February 28, 2021
|
|
CoSeC Impact Award 2021 - additional £250 prize for winner
|
|
1
|
104
|
February 10, 2021
|
|
Diffusion factor
|
|
0
|
112
|
January 12, 2021
|
|
TIP4P/2005 water in dlpoly
|
|
3
|
167
|
December 23, 2020
|
|
Re: frozen coordiates of a atom
|
|
7
|
157
|
December 11, 2020
|
