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Pull requests: SALMON-TDDFT/SALMON2

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Pull requests list

fix(rt): pass ofl to init_dft so RT writes a non-empty data_for_restart_rt
#1271 opened Jul 1, 2026 by MZKC Loading…
1
Fix I6 filename/index overflow in multiscale Ac, field-snapshot, restart-dir and k-expand naming
#1270 opened Jul 1, 2026 by MZKC Loading…
1
Three-temperature (electron/hole/lattice) carrier model coupled to Maxwell-FDTD (ttm3)
#1268 opened Jun 23, 2026 by MZKC • Draft
2
feat(maxwell): cycle-averaged EM envelope via a pi/2 quadrature ghost field (yn_em_envelope)
#1266 opened Jun 19, 2026 by MZKC Loading…
1
feat: r-space parallelization for nonorthogonal lattices (nproc_rgrid>1)
#1265 opened Jun 19, 2026 by MZKC Loading…
5
Make method_init_density='pp' work for psp8 and add a generic atomic-density fallback
#1260 opened Jun 18, 2026 by MZKC Loading…
4
Add 'block' wavefunction checkpoint distributor (fewer inodes than 'slice')
#1259 opened Jun 18, 2026 by MZKC Loading…
7
Add NLCC contribution to the atomic force
#1258 opened Jun 18, 2026 by MZKC Loading…
4
Fix NLCC core density replicas for non-orthogonal cells
#1257 opened Jun 18, 2026 by MZKC Loading…
6
fix: keep the t=0 (GS) reference density across RT restart
#1256 opened Jun 18, 2026 by MZKC Loading…
1
fix: malformed internal writes break the restart directory name
#1255 opened Jun 18, 2026 by MZKC Loading…
1
fix: projection convergence loop referenced previous time step's energy
#1254 opened Jun 18, 2026 by MZKC Loading…
1
fix: TBmBJ ground-state hang on zero-density grid points
#1252 opened Jun 18, 2026 by MZKC Loading…
6
fix: two-temperature model energy source and heat-diffusion stencil
#1250 opened Jun 18, 2026 by MZKC Loading…
4
fix: orthogonality-aware automatic MPI process distribution
#1248 opened Jun 18, 2026 by MZKC Loading…
4
fix: use |det A| for cell volume to avoid NaN with left-handed lattice vectors
#1247 opened Jun 18, 2026 by MZKC Loading…
1
Add OpenACC and CUDA as options in CMakeLists.txt
#1236 opened Oct 28, 2025 by freifrauvonbleifrei Loading…
1
[WIP] Atomic Wavefunction
#1231 opened Sep 12, 2025 by uemoto1 Contributor Loading…
1
Add rt_energy.data export in Maxwell+SBE routine
#1194 opened May 23, 2024 by uemoto1 Contributor Loading…
2
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