How do I create bonds in a FCC lattice
|
|
2
|
81
|
March 10, 2024
|
Repeated steps for a double for loop
|
|
3
|
83
|
March 9, 2024
|
LaTeX text overlays
|
|
3
|
85
|
February 9, 2024
|
Using atom_style hybrid dielectric sphere with pair_style hybrid overlay
|
|
3
|
60
|
March 8, 2024
|
Thermal conductivity of liquid
|
|
11
|
128
|
March 8, 2024
|
Movement of COM in the MD simulation of 3D system consisting mobile and rigid molecules
|
|
19
|
201
|
March 6, 2024
|
How to get Bond valence Vector Sum (BVVS) for each sites of Perovskite material?
|
|
0
|
40
|
March 5, 2024
|
Incorrect argument when using quip in lammps
|
|
4
|
60
|
March 5, 2024
|
Randomly interchanging the velocities of a group of particles
|
|
0
|
39
|
March 5, 2024
|
Specific capacitance calculation
|
|
0
|
62
|
March 2, 2024
|
High fluctuations in the thermodynamic properties of mixtures
|
|
2
|
259
|
September 13, 2023
|
API - Filter structures by elements
|
|
2
|
75
|
February 28, 2024
|
Is it possible to output the time passed instead of the number of timesteps passed in the output file for fix ave/chunk?
|
|
1
|
50
|
February 23, 2024
|
Dipole moment calculation problems
|
|
2
|
120
|
February 23, 2024
|
Calculating d33 coefficient from Piezoelectric Tensor (eᵢⱼ) and Compliance Tensor (Sᵢⱼ)
|
|
0
|
109
|
December 5, 2023
|
Tips/Tricks for including Transition States in ICET?
|
|
1
|
69
|
February 22, 2024
|
Annotations in ternary, 2D PDPlotter
|
|
0
|
50
|
February 21, 2024
|
How to Plot DOS using pymatgen and python?
|
|
3
|
66
|
February 21, 2024
|
Fix rigid, deposit and temperature instability
|
|
4
|
66
|
February 21, 2024
|
Name of properties in MAPI + pagination
|
|
1
|
57
|
February 20, 2024
|
Centrosymmetric crystalline molecule
|
|
4
|
105
|
February 20, 2024
|
Ovito Cluster Analysis
|
|
0
|
101
|
February 20, 2024
|
How to use vector variables
|
|
7
|
102
|
February 20, 2024
|
SO4 ion and the O atoms distance
|
|
3
|
59
|
February 20, 2024
|
Seeking Help: Restarting Molecular Dynamics Simulations in ASE
|
|
0
|
117
|
February 19, 2024
|
Example script of using ase neb with vasp in parallel
|
|
2
|
184
|
February 19, 2024
|
How to Plot DOS using pymatgen and python?
|
|
0
|
59
|
February 19, 2024
|
Simulation is getting killed due to huge memory demand on using wall/srd with a mixture of srd and colloidal particles
|
|
8
|
61
|
February 19, 2024
|
Formation energy from energy_per_atom
|
|
3
|
83
|
February 18, 2024
|
Getting different catalyst structures & atomic positions from website and api (cif, poscar, everything)
|
|
7
|
68
|
February 17, 2024
|