|
Calculating Entropy in LAMMPS :ERROR on proc 0: Neighbor list overflow, boost neigh_modify one (src/npair_full_bin.cpp:120)
|
|
4
|
507
|
February 15, 2023
|
|
Typo in example script fep/CH4hydr/data.lmp
|
|
2
|
195
|
February 6, 2023
|
|
Unreported bugs in 23 June 2022 stable release
|
|
4
|
297
|
February 3, 2023
|
|
Problems with partial PBCs on previously pickled structures
|
|
2
|
766
|
January 22, 2023
|
|
Handling fractional coordinates from Quantum Espresso
|
|
7
|
729
|
December 13, 2022
|
|
Bug report in GrandPotential dataframe and get_kinks
|
|
1
|
287
|
August 23, 2022
|
|
The band gap of CdS(mp-672) is wrong
|
|
4
|
343
|
November 3, 2022
|
|
Last chance for bug reports and fixes for the stable release 23Jun2022
|
|
4
|
415
|
November 3, 2022
|
|
Difficulty in modeling water molecules(TIP3P) with polymer(COMPASS)
|
|
7
|
482
|
October 17, 2022
|
|
Cuda illegal memory access(kokkos) multiple MPI per GPU
|
|
18
|
718
|
October 2, 2022
|
|
[Possible Bug] read_restart only reads first 29 characters of filenames
|
|
12
|
310
|
September 8, 2022
|
|
Bug in downloading Pourbaix Diagram
|
|
5
|
478
|
September 7, 2022
|
|
Discrepancies in Elasticity Data (new version of MP)? (+ erroneous unit)
|
|
0
|
286
|
September 5, 2022
|
|
Mp_api charge density from material_id convenience function gives MPRestError
|
|
3
|
322
|
September 1, 2022
|
|
_wait_for_tstate_lock if lock.acquire(block, timeout):
|
|
4
|
915
|
August 23, 2022
|
|
RuntimeError: Undefined plan with nthreads. This is a bug
|
|
2
|
565
|
August 23, 2022
|
|
Problem with memory allocation in REAXFF calculations
|
|
8
|
441
|
August 12, 2022
|
|
If statement parsing non-error
|
|
2
|
380
|
August 3, 2022
|
|
Bug in triple-quoted text with "print" command
|
|
3
|
352
|
August 3, 2022
|
|
CTI+EAM Potential
|
|
2
|
270
|
July 27, 2022
|
|
Uniaxial behavior change between LAMMPS Sep 2021 and Jun 2022
|
|
3
|
414
|
July 27, 2022
|
|
Intel package user error
|
|
1
|
382
|
July 26, 2022
|
|
Unable to generate pourbaix diagram (ZnS)?
|
|
0
|
264
|
July 8, 2022
|
|
Error running 'stress/atom' via OpenKIM in LAMMPS
|
|
1
|
331
|
June 21, 2022
|
|
Pure Monte Carlo simulation with fix addforce: unexpected behavior? [solved]
|
|
3
|
571
|
June 19, 2022
|
|
Complete your Materials Project Registration pops up when logging in via Google, but not GitHub
|
|
2
|
440
|
June 16, 2022
|
|
Inconsistent data given by old and new materials explorer
|
|
2
|
358
|
June 13, 2022
|
|
Nomad Oasis, publish functionality is missing
|
|
12
|
508
|
June 9, 2022
|
|
Restart molecules, shear forces are zero
|
|
9
|
292
|
June 8, 2022
|
|
ELN inherritance of ENtryData
|
|
1
|
305
|
June 7, 2022
|