moist is distributed under the MPL-2.0 license (see LICENSE). It incorporates
third-party code and parameter data under other licenses.
This file documents those components, their origin, and the applicable license, as required by
those licenses (in particular the BSD source- and binary-redistribution clauses).
Each third-party component remains under its own terms; its license is listed alongside it below.
| Component | Path in moist |
Upstream repository | Original author(s) | License | License file |
|---|---|---|---|---|---|
| SLSQP (+ BVLS) | src/moist/math/solver/slsqp/ |
jacobwilliams/slsqp | Dieter Kraft (1988); ACM (1994); BVLS: Lawson & Hanson (netlib, public domain); modern Fortran by J. Williams | BSD-3-Clause (+ MIT-style original grant) | src/moist/math/solver/slsqp/LICENSE |
| L-BFGS-B | src/moist/math/solver/lbfgsb/ |
jacobwilliams/lbfgsb | L-BFGS-B 3.0: J. Nocedal & J. L. Morales; modern Fortran by J. Williams | BSD-3-Clause ("New BSD") | src/moist/math/solver/lbfgsb/LICENSE |
| nlesolver | src/moist/math/solver/newton/ |
jacobwilliams/nlesolver-fortran | J. Williams | BSD-3-Clause | src/moist/math/solver/newton/LICENSE |
| fmin | src/moist/math/solver/fmin/ |
jacobwilliams/fmin (tag 1.1.1) | J. Williams | BSD-3-Clause | src/moist/math/solver/fmin/LICENSE |
| LSQR | src/moist/math/linalg/lsqr/ |
jacobwilliams/LSQR (tag 1.1.0) | M. Saunders (SOL, Stanford); modern Fortran by J. Williams | BSD-3-Clause (+ CPL-1.0 original, + LAPACK BSD) | src/moist/math/linalg/lsqr/LICENSE |
| LSMR | src/moist/math/linalg/lsmr/ |
jacobwilliams/LSMR (tag 1.0.0) | D. Fong & M. Saunders (SOL, Stanford) | BSD-2-Clause | src/moist/math/linalg/lsmr/LICENSE |
| LUSOL | src/moist/math/linalg/lusol/ |
jacobwilliams/lusol (tag 1.0.0) | Systems Optimization Laboratory, Stanford University | MIT OR BSD-3-Clause | src/moist/math/linalg/lusol/LICENSE |
They are unmodified except for two OpenMP fixes in FINUFFT's spread.hpp and makeplan.hpp.
See each directory's PROVENANCE.md for the exact file list, origin, pinned revision and local patches.
| Component | Path in moist |
Upstream repository | Pinned revision | License | License file |
|---|---|---|---|---|---|
| FINUFFT (non-uniform FFT) | src/moist/math/fft/finufft/ |
flatironinstitute/finufft | commit 0e9c10409580c482656b3f840c9d875f98c3a066 (2.6.0-dev) |
Apache-2.0 | src/moist/math/fft/finufft/LICENSE, NOTICE |
| xsimd (SIMD wrappers, header-only) | src/moist/math/fft/xsimd/ |
xtensor-stack/xsimd | commit 6842624fc8adafd7168a999e7150b384411da448 |
BSD-3-Clause | src/moist/math/fft/xsimd/LICENSE |
| ducc0 FFT (16-file subset) | src/moist/math/fft/ducc0/ |
mreineck/ducc, tag ducc0_0_39_1 (commit 0c0525521bc56d1b7bef8eb97a6debb6a3bfd33c) |
see tag | BSD-3-Clause (only dual-licensed files are vendored; moist takes the BSD-3-Clause option) | full text in the header of every file, also collected in src/moist/math/fft/ducc0/LICENSE; provenance and closure in src/moist/math/fft/ducc0/PROVENANCE.md |
The following tables contain the source, citation, and license notices in their modules.
| Parameter table | Path in moist |
Pinned source | Copyright holder | License | Citation |
|---|---|---|---|---|---|
| UFF (H-Lr) | src/moist/model/moz/potential/lj/uff/parameters.f90 |
lammps_interface/uff.py, 255f027cb76142d39c050a6810404debc6a06562 |
Peter Boyd (2017) | MIT | Rappe et al. (1992) |
| DREIDING (25 elements) | src/moist/model/moz/potential/lj/dreiding/parameters.f90 |
lammps_interface/dreiding.py, 255f027cb76142d39c050a6810404debc6a06562 |
Peter Boyd (2017) | MIT | Mayo et al. (1990) |
| GAFF2 (legacy subset) | src/moist/model/moz/potential/lj/gaff/parameters.f90 |
openmmforcefields gaff-2.2.20.dat, f0dfefff34e8af3cd5742686b6a9015661d4d5b6 |
Chodera lab / MSKCC; Pande group / Stanford (2016-2019) | MIT | Wang et al. (2004) |
| OPLS-AA / OPLSAA-DB (526 keys) | src/moist/model/moz/potential/lj/oplsaa/parameters.f90, db: rows |
OPLSAA-DB, b09d51bf1bf5abc698a5b32e6c1715a625190a0b |
Leela S. Dodda; Jorgensen Lab, Yale University | Apache-2.0 | Jorgensen et al. (1996) |
| OPLS-AA / TUK-FFDat (125 tags) | src/moist/model/moz/potential/lj/oplsaa/parameters.f90, tuk: rows |
TUK-FFDat, version 1.0 (2023) | G. Kanagalingam; S. Schmitt; F. Fleckenstein; S. Stephan | CC BY 4.0 | Jorgensen et al. (1996); Kanagalingam et al. (2023) |
| Transition metals (14 elements) | src/moist/model/moz/potential/lj/tm/parameters.f90 |
VeloxChem tmparameters.py, d4290334938fb5cab7e2e9954bd6dea5865d7b1c |
VeloxChem developers (2018-2025) | BSD-3-Clause | Sebesta et al. (2016) |
| Legacy modified SPC/E reference | src/moist/model/moz/potential/lj/spce/parameters.f90 |
VeloxChem waterparameters.py (cspce), d4290334938fb5cab7e2e9954bd6dea5865d7b1c |
VeloxChem developers (2018-2025) | BSD-3-Clause | Berendsen et al. (1987); Luchko et al. (2010) |
These are managed via Meson wrap files under subprojects/ and retain their own license
files in-tree (unmodified upstream). Listed here for completeness.
| Subproject | License file(s) | License |
|---|---|---|
| toml-f | subprojects/toml-f/LICENSE-Apache, LICENSE-MIT |
Apache-2.0 OR MIT |
| jonquil | subprojects/jonquil/LICENSE-Apache, LICENSE-MIT |
Apache-2.0 OR MIT |
| test-drive | subprojects/test-drive/LICENSE-Apache, LICENSE-MIT |
Apache-2.0 OR MIT |
| mctc-lib | subprojects/mctc-lib/LICENSE |
Apache-2.0 |
| mstore | subprojects/mstore/LICENSE |
Apache-2.0 |
| fclap | subprojects/fclap/LICENSE.md |
MIT (Christian Selzer) |
- BSD-3-Clause and BSD-2-Clause permit redistribution with or without modification provided the copyright notice, conditions, and disclaimer are retained (source) and reproduced in accompanying materials (binary). This file, shipped with source and binary distributions, records the components and their applicable licenses.
- Names of upstream authors/contributors are not used to endorse or promote
moist.