Comments (3)
I still have this (working) code in my LAMMPS-ICMS branch, but we have no documentation for it. @sjplimp do you want me to drop it?
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the code (still sans doc file) is now available in PR #484
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PR #484 is merged
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Related Issues (20)
- [BUG] MPI errors when running NEB with multiple cores per replica HOT 5
- [Feature Request] Mixed Precision GPU Reaxff/Kokkos Package
- [Feature Request] Refactor access to and error messages for atom styles
- [BUG] Force spike for some ReaxFF parametrizations for bond order ~10^-8 HOT 18
- [BUG] Technically Timer::get_timeout_remain is buggy (can return timer inactive when it has just expired) HOT 5
- [BUG] Kokkos CMake config deprecated HOT 7
- [BUG] Major performance regression in Special.build() component of replicate at large scale (512 nodes+) HOT 14
- [BUG] Release branch fails to build with EXTRA-PAIR HOT 3
- [BUG] Vector variable interaction with loop variable. HOT 2
- LAMMPS installtion still required the deprecated and removed Intel classic compilers (icc, icpc) HOT 1
- [BUG] Compute RDF unphysical with neighbor multi HOT 13
- [BUG] Memory leak of lammps_gather_concat functions in library.cpp HOT 2
- [BUG] Fortran interface, c2f_string shape HOT 1
- [BUG] Small error in in.ttm.mod example (Si.ttm_mod)
- [BUG] _Unable to restart from restart files with rigid molecules.
- [BUG] Replace XDR code with BSD-relicensed copy
- An error in the "fix ttm command" description in the LAMMPS manual HOT 1
- Implementing Custom pair_style in KOKKOS HOT 4
- [Feature Request] Make lammps_extract_fix consistent with lammps_extract_compute for global arrays HOT 4
- [BUG] pair_style ylz needs explicit symmetrization of the interaction cutoff
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