How to use Shake command and molecule file
|
|
5
|
228
|
December 25, 2023
|
Core/group/site.c:22 GroupSiteChargeRealloc: Realloc error
|
|
4
|
212
|
December 25, 2023
|
Ovito app crash at launch on macOS
|
|
6
|
191
|
December 22, 2023
|
Segmentation fault at launch on M1 MacBook Air
|
|
3
|
165
|
December 22, 2023
|
Help with using ChemEnvSiteFingerprint
|
|
0
|
108
|
December 20, 2023
|
NoSuchKey error
|
|
1
|
263
|
December 19, 2023
|
Mpi_run cannot be conducted with more than -np 4
|
|
13
|
255
|
December 16, 2023
|
MPX3 class of materials erroneously predicted to be ferromagnetic
|
|
1
|
142
|
December 13, 2023
|
Issue with running LAMMPS in serial mode
|
|
3
|
223
|
December 12, 2023
|
Fix Phonon error after running script
|
|
2
|
201
|
December 11, 2023
|
Issues with bond_style_table
|
|
2
|
127
|
December 10, 2023
|
Unreported error for velocity command in LAMMPS documentation, Questions about seed value
|
|
2
|
210
|
December 9, 2023
|
Why has the material Al31Mn5Cu3 (mp-1197126) disappeared?
|
|
3
|
171
|
December 7, 2023
|
Trouble installing Electrode Package using traditional make
|
|
3
|
143
|
December 4, 2023
|
ReaxFF hybrid force field
|
|
2
|
251
|
December 1, 2023
|
REST query returned with error status code 500
|
|
6
|
779
|
November 30, 2023
|
Installation error - outdated LAPACK version
|
|
0
|
82
|
November 30, 2023
|
IndexError when including SOC
|
|
0
|
118
|
November 28, 2023
|
ERROR: Out of range atoms - cannot compute PPPM
|
|
1
|
224
|
November 27, 2023
|
Error in obtaining deformation potential data
|
|
0
|
206
|
November 27, 2023
|
I tried to change the names of the columns with the "dump_modify dump -ID colname ID string" command. It was successfully executed in the Windows version of "LAMMPS"( "LAMMPS-64bit-Latest.exe"), but failed to execute in LINUX version of "LAMMPS"
|
|
4
|
177
|
November 24, 2023
|
Interface Reactions App seems to be down
|
|
3
|
135
|
February 23, 2024
|
Issue with fix ttm/grid
|
|
3
|
222
|
November 20, 2023
|
Problem in downloading bulk_modulus, shear modulus
|
|
2
|
341
|
February 23, 2024
|
Error with fix ave/time
|
|
10
|
260
|
November 17, 2023
|
ERROR on proc 0: Support for writing movies not included (src/dump_movie.cpp:60)
|
|
8
|
413
|
November 17, 2023
|
Computed temperature for fix temp/rescale cannot be 0.0
|
|
1
|
154
|
February 23, 2024
|
Computation of dipole moment through variable command
|
|
5
|
176
|
November 15, 2023
|
ERROR: Variable teng: Invalid compute ID 'eatoms' in variable formula (src/variable.cpp:1344) Last command: Total energy (eV) = ${teng
|
|
1
|
146
|
November 12, 2023
|
Validation Error When Trying To Query
|
|
3
|
371
|
February 23, 2024
|