How to use the equlibrated CNT as the initial data to start with?
|
|
7
|
218
|
October 4, 2023
|
New Fireworks installation bugs
|
|
7
|
355
|
October 4, 2023
|
Nanoparticles
|
|
5
|
515
|
October 4, 2023
|
Numpy arrays error
|
|
7
|
522
|
October 4, 2023
|
Need help for choosing potential
|
|
3
|
581
|
October 4, 2023
|
May I ask a question about meam? (ERROR: Incorrect args for pair style meam coefficients (src/MEAM/pair_meam.cpp:231))
|
|
5
|
813
|
October 4, 2023
|
Hybrid Functionals
|
|
0
|
290
|
October 4, 2023
|
Error generating pourbaix diagram
|
|
7
|
625
|
February 22, 2024
|
BSDOSplotter object returnes Axes tuple -- how to plot this
|
|
1
|
430
|
October 4, 2023
|
Calculating Bond Lengths
|
|
1
|
167
|
October 3, 2023
|
Bulk Modulus of 0
|
|
4
|
259
|
October 3, 2023
|
Viscosity calculation for many groups
|
|
4
|
248
|
October 3, 2023
|
Plotting band structures
|
|
2
|
668
|
October 3, 2023
|
Python API fix external virial error
|
|
3
|
248
|
October 3, 2023
|
MSEVB using Python API
|
|
22
|
1162
|
May 3, 2023
|
Some issues related to Stockmayer fluid model
|
|
8
|
460
|
October 3, 2023
|
Boiling Point Calculations
|
|
1
|
309
|
October 3, 2023
|
NPT Equilibration of Solution
|
|
6
|
220
|
October 2, 2023
|
A example of phase diagram at new mp_api website
|
|
3
|
488
|
February 22, 2024
|
Generate Quarternary Phase Diagrams?
|
|
3
|
766
|
February 22, 2024
|
Please help me
|
|
1
|
323
|
October 2, 2023
|
Workpiece deformation about system relaxation in NVT
|
|
2
|
168
|
October 2, 2023
|
Understanding the deformation potential values when SOC is included in the calculation
|
|
0
|
322
|
October 2, 2023
|
Fix Spring with unlimited atom groups/chunks, tethering to specific points
|
|
10
|
690
|
October 2, 2023
|
Problems in fix rigid: Bad principal moments
|
|
3
|
258
|
October 2, 2023
|
Visualization software
|
|
1
|
179
|
October 2, 2023
|
Building a Pourbaix Diagram manually: (Error) Reference solid not contained in entry list
|
|
1
|
325
|
October 2, 2023
|
Out of range atoms - atomistic polymer system with hydrogens - GPU
|
|
3
|
320
|
October 1, 2023
|
How to use two dat files together?
|
|
5
|
232
|
October 1, 2023
|
New installation of ovito basic launches ovito pro and asks for license key
|
|
5
|
650
|
October 1, 2023
|