|
get ionic temperature and electronic temperature in ttm
|
|
2
|
498
|
February 17, 2024
|
|
R_14 > neigh%cutoff in dihedrals_forces
|
|
0
|
138
|
January 30, 2024
|
|
Dl_poly
|
|
0
|
272
|
May 17, 2023
|
|
Failed to generate opt run
|
|
0
|
313
|
March 25, 2023
|
|
Ask for help
|
|
0
|
379
|
February 11, 2023
|
|
Segmentation fault - invalid memory reference
|
|
0
|
671
|
May 11, 2022
|
|
PDRA @ Queen Mary University London,
|
|
0
|
367
|
May 2, 2022
|
|
Re: Fortran runtime error: Expected P edit descriptor in format
|
|
0
|
381
|
April 28, 2022
|
|
Config file format
|
|
0
|
736
|
April 20, 2022
|
|
name in process list
|
|
0
|
404
|
January 19, 2022
|
|
Simulation aborted due to Fortran runtime error
|
|
1
|
399
|
November 17, 2021
|
|
MSD simulations
|
|
0
|
555
|
November 9, 2021
|
|
core-shell problem with equilibration
|
|
1
|
517
|
November 4, 2021
|
|
Segmentation fault
|
|
2
|
449
|
November 1, 2021
|
|
Sanderson/User defined interatomic potential
|
|
3
|
409
|
October 19, 2021
|
|
DLPOLY4 / node/domain decomposition
|
|
2
|
589
|
October 19, 2021
|
|
Simulation of H2 with two sites model
|
|
5
|
403
|
September 23, 2021
|
|
the simulation of models with oxygen vacancies
|
|
3
|
429
|
September 22, 2021
|
|
OpenKIM Seeking Computational Researcher
|
|
0
|
336
|
August 19, 2021
|
|
Re: Issues with Simulation Speed
|
|
0
|
389
|
August 7, 2021
|
|
Issues with Simulation Speed
|
|
1
|
445
|
August 3, 2021
|
|
Van der Waals interactions neighbours list & scale factor
|
|
4
|
813
|
August 2, 2021
|
|
Simulating strain
|
|
0
|
341
|
July 9, 2021
|
|
Puzzling pseudothermostats in DL_POLY
|
|
0
|
352
|
June 3, 2021
|
|
how to Fix the parameter mxexcl
|
|
0
|
453
|
June 3, 2021
|
|
inaugural TYC-MMM "Software Spotlight"
|
|
0
|
423
|
May 5, 2021
|
|
NVE simulations in DLPOLY Classic 1.10
|
|
2
|
503
|
May 3, 2021
|
|
DPD model of multi-walled carbon nanotubes
|
|
8
|
511
|
April 23, 2021
|
|
GUI
|
|
3
|
664
|
April 21, 2021
|
|
magnitude of Core - shell charges
|
|
3
|
603
|
April 21, 2021
|