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adds elstruct parameters/readers/writers for ase calls to psi4 and build #6: Commit 4d9042d pushed by snelliott
29s feature/mlip-updated
feature/mlip-updated
29s
adds elstruct parameters/readers/writers for ase calls to psi4 and test #18: Commit 4d9042d pushed by snelliott
2m 56s feature/mlip-updated
feature/mlip-updated
2m 56s
Release 0.2025.0 test #17: Commit 115b6a8 pushed by snelliott
2m 28s dev
dev
2m 28s
Release 0.2025.0 build #5: Commit 115b6a8 pushed by snelliott
30s dev
dev
30s
elstruct now has MLIP models allowed in the par and test #16: Commit 5eed9ce pushed by snelliott
14s feature/mlip
feature/mlip
14s
elstruct now has MLIP models allowed in the par and build #4: Commit 5eed9ce pushed by snelliott
10s feature/mlip
feature/mlip
10s
Merge pull request #242 from avcopan/pixi-build test #15: Commit e0cc7f4 pushed by snelliott
11s dev
dev
11s
Merge pull request #242 from avcopan/pixi-build build #3: Commit e0cc7f4 pushed by snelliott
14s dev
dev
14s
elstruct now has MLIP models allowed in the par and build #2: Commit 5eed9ce pushed by snelliott
28s dev
dev
28s
elstruct now has MLIP models allowed in the par and test #14: Commit 5eed9ce pushed by snelliott
2m 58s dev
dev
2m 58s
adds elstruct parameters/readers/writers for ase calls to psi4 and test #13: Commit 88967f0 pushed by snelliott
2m 58s dev
dev
2m 58s
adds elstruct parameters/readers/writers for ase calls to psi4 and build #1: Commit 88967f0 pushed by snelliott
31s dev
dev
31s
Merge branch 'Auto-Mech:dev' into main test #12: Commit d241c9f pushed by snelliott
2m 51s main
main
2m 51s
Merge pull request #239 from avcopan/dev test #11: Commit 692fb83 pushed by snelliott
2m 49s dev
dev
2m 49s
Merge pull request #230 from avcopan/dev test #10: Commit 9610c41 pushed by snelliott
3m 18s dev
dev
3m 18s
Merge pull request #230 from avcopan/dev lint #10: Commit 9610c41 pushed by snelliott
37s dev
dev
37s
frequencies along potential will preserve number of imaginary modes. test #9: Commit d8d6088 pushed by snelliott
3m 16s dev
dev
3m 16s
frequencies along potential will preserve number of imaginary modes. lint #9: Commit d8d6088 pushed by snelliott
36s dev
dev
36s
Merge pull request #226 from snelliott/dev lint #8: Commit 367cea5 pushed by snelliott
40s dev
dev
40s
Merge pull request #226 from snelliott/dev test #8: Commit 367cea5 pushed by snelliott
3m 18s dev
dev
3m 18s
fixed so that when lists are used in species.dat (and other input files) lint #7: Commit 9708016 pushed by snelliott
39s dev
dev
39s
fixed so that when lists are used in species.dat (and other input files) test #7: Commit 9708016 pushed by snelliott
3m 16s dev
dev
3m 16s
gaussian16 will not print anharmonic info for degenerate modes, this test #6: Commit 59c5d63 pushed by snelliott
3m 14s dev
dev
3m 14s
gaussian16 will not print anharmonic info for degenerate modes, this lint #6: Commit 59c5d63 pushed by snelliott
36s dev
dev
36s
Merge pull request #224 from snelliott/dev lint #5: Commit c368c31 pushed by snelliott
30s dev
dev
30s