npt
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| What does pdamp and tdamp mean exactly? |
|
1 | 31 | June 14, 2025 |
| ERROR: Out of range atoms - cannot compute PPPM (src/OPENMP/pppm_disp_tip4p_omp.cpp:400) |
|
1 | 60 | September 20, 2024 |
| Does metadynamics on PLUMED work in an NPT ensemble? |
|
3 | 433 | August 9, 2023 |
| Npt ensemble gives lower value of young modulus and stress than it should be |
|
1 | 325 | June 16, 2023 |
| Getting help to solve the error for "Bond atoms 5282 5291 missing on proc 0 at step 2515 (src/ntopo_bond_all.cpp:61)" |
|
1 | 257 | May 26, 2023 |
| Problems with npt in one periodic dimension |
|
3 | 526 | January 20, 2023 |
| A problem in setting or choosing an integrator in the uniaxial strain of 2D structures |
|
12 | 456 | January 12, 2023 |
| Compression in NPT ensemble with ReaxFF potential |
|
16 | 1340 | December 5, 2022 |
| Error using npt barostat for equilibration |
|
1 | 337 | August 14, 2022 |