|
get ionic temperature and electronic temperature in ttm
|
|
2
|
482
|
February 17, 2024
|
|
R_14 > neigh%cutoff in dihedrals_forces
|
|
0
|
133
|
January 30, 2024
|
|
Dl_poly
|
|
0
|
267
|
May 17, 2023
|
|
Failed to generate opt run
|
|
0
|
312
|
March 25, 2023
|
|
Ask for help
|
|
0
|
371
|
February 11, 2023
|
|
Segmentation fault - invalid memory reference
|
|
0
|
665
|
May 11, 2022
|
|
PDRA @ Queen Mary University London,
|
|
0
|
364
|
May 2, 2022
|
|
Re: Fortran runtime error: Expected P edit descriptor in format
|
|
0
|
377
|
April 28, 2022
|
|
Config file format
|
|
0
|
727
|
April 20, 2022
|
|
name in process list
|
|
0
|
404
|
January 19, 2022
|
|
Simulation aborted due to Fortran runtime error
|
|
1
|
398
|
November 17, 2021
|
|
MSD simulations
|
|
0
|
553
|
November 9, 2021
|
|
core-shell problem with equilibration
|
|
1
|
512
|
November 4, 2021
|
|
Segmentation fault
|
|
2
|
446
|
November 1, 2021
|
|
Sanderson/User defined interatomic potential
|
|
3
|
406
|
October 19, 2021
|
|
DLPOLY4 / node/domain decomposition
|
|
2
|
585
|
October 19, 2021
|
|
Simulation of H2 with two sites model
|
|
5
|
401
|
September 23, 2021
|
|
the simulation of models with oxygen vacancies
|
|
3
|
428
|
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
|
443
|
August 3, 2021
|
|
Van der Waals interactions neighbours list & scale factor
|
|
4
|
798
|
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
|
452
|
June 3, 2021
|
|
inaugural TYC-MMM "Software Spotlight"
|
|
0
|
423
|
May 5, 2021
|
|
NVE simulations in DLPOLY Classic 1.10
|
|
2
|
501
|
May 3, 2021
|
|
DPD model of multi-walled carbon nanotubes
|
|
8
|
501
|
April 23, 2021
|
|
GUI
|
|
3
|
663
|
April 21, 2021
|
|
magnitude of Core - shell charges
|
|
3
|
585
|
April 21, 2021
|