Filename | Latest Rev | Last Changed | Committer | Comment | Size | ||
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.. | |||||||
VASP-8LiH | 1.1.5 | 14 years ago | Bazaar Package Importer | Import upstream version 0.9.7 | |||
VASP-DOS | 1.1.11 | 11 years ago | Package Import Robot | Import upstream version 1.1.0 | |||
1CRN.pdb | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 33.6 KB | ||
2-aminoethanol.cml | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 2.3 KB | ||
2-thioethanol.cml | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 2.4 KB | ||
2_2_2-trifluoroethanol.cml | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 2.3 KB | ||
acid_chlorides.smi | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 87 bytes | ||
amines.smi | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 66 bytes | ||
b2h6.wfn | 1.1.11 | 11 years ago | Package Import Robot | Import upstream version 1.1.0 | 13.4 KB | ||
basic1.drawlog | 1.1.6 | 14 years ago | Bazaar Package Importer | Import upstream version 0.9.9 | 7.2 KB | ||
basic2.drawlog | 1.1.6 | 14 years ago | Bazaar Package Importer | Import upstream version 0.9.9 | 3.5 KB | ||
basic3.drawlog | 1.1.6 | 14 years ago | Bazaar Package Importer | Import upstream version 0.9.9 | 3 KB | ||
basic4.drawlog | 1.1.6 | 14 years ago | Bazaar Package Importer | Import upstream version 0.9.9 | 6.5 KB | ||
basic5.drawlog | 1.1.6 | 14 years ago | Bazaar Package Importer | Import upstream version 0.9.9 | 2.3 KB | ||
basic6.drawlog | 1.1.6 | 14 years ago | Bazaar Package Importer | Import upstream version 0.9.9 | 4.2 KB | ||
benzene-homo.cube.gz | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 536 KB | ||
benzene.fchk | 1.1.11 | 11 years ago | Package Import Robot | Import upstream version 1.1.0 | 124 KB | ||
benzene.g03 | 1.1.11 | 11 years ago | Package Import Robot | Import upstream version 1.1.0 | 45.3 KB | ||
benzene.mold | 1.1.11 | 11 years ago | Package Import Robot | Import upstream version 1.1.0 | 172 KB | ||
but-2-yne-1_4-diol.cml | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 2.6 KB | ||
butane.cml | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 2.8 KB | ||
c4h4.wfn | 1.1.11 | 11 years ago | Package Import Robot | Import upstream version 1.1.0 | 33.2 KB | ||
c60.fchk.gz | 1.1.11 | 11 years ago | Package Import Robot | Import upstream version 1.1.0 | 4.2 MB | ||
cdspectrum | 1.1.11 | 11 years ago | Package Import Robot | Import upstream version 1.1.0 | 1 KB | ||
ch3cl-density.cub.gz | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 586 KB | ||
ch3cl-esp.cub.gz | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 579 KB | ||
ch3oh-nmr.qcout | 1.1.1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.2 | 38.1 KB | ||
CO-cc-6Z.fchk.gz | 1.1.11 | 11 years ago | Package Import Robot | Import upstream version 1.1.0 | 243 KB | ||
co.fchk | 1.1.1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.2 | 16.3 KB | ||
COPYING | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 1.4 KB | ||
edos.g03 | 1.1.11 | 11 years ago | Package Import Robot | Import upstream version 1.1.0 | 132 KB | ||
ethane-1_2-diol.cml | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 2.4 KB | ||
ethane.cml | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 2.1 KB | ||
ethanol.cml | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 2.2 KB | ||
fail1.drawlog.ignore | 1.1.6 | 14 years ago | Bazaar Package Importer | Import upstream version 0.9.9 | 3.6 KB | ||
fail2.drawlog.ignore | 1.1.6 | 14 years ago | Bazaar Package Importer | Import upstream version 0.9.9 | 125 KB | ||
Fe.sdf | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 1.7 KB | ||
ferrocene.cml | 1.1.8 | 14 years ago | Bazaar Package Importer | Import upstream version 1.0.1 | 3.7 KB | ||
hco2.wfn | 1.1.11 | 11 years ago | Package Import Robot | Import upstream version 1.1.0 | 23.5 KB | ||
methane-gaussian.fchk | 1.1.3 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.4 | 21.1 KB | ||
methane.cml | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 1.7 KB | ||
methane.FChk | 1.1.2 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.3 | 17.4 KB | ||
methane.g03 | 1.1.3 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.4 | 62.3 KB | ||
methane.inp | 1.1.3 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.4 | 292 bytes | ||
methane.mp | 1.1.3 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.4 | 502 bytes | ||
methane.mpo | 1.1.3 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.4 | 24.7 KB | ||
methane.nwo | 1.1.3 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.4 | 90 KB | ||
methane.out | 1.1.2 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.3 | 16.4 KB | ||
methanol.cml | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 1.9 KB | ||
methanol.jdx | 1.1.3 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.4 | 33.5 KB | ||
methanol.nwo | 1.1.3 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.4 | 200 KB | ||
nanotube.xyz | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 11 KB | ||
porphyrin.cml | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 5.3 KB | ||
propan-1-ol.cml | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 2.6 KB | ||
propan-2-ol.cml | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 2.6 KB | ||
propane.cml | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 2.5 KB | ||
sampleIRSpectra.tsv | 1.1.2 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.3 | 72.3 KB | ||
spc216.pdb | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 42.4 KB | ||
spc216.xtc | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 445 KB | ||
spectrum | 1.1.11 | 11 years ago | Package Import Robot | Import upstream version 1.1.0 | 1 KB | ||
thiophene.cml | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 2.3 KB | ||
tpy-Ru.sdf | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 4.1 KB | ||
tyr-33-conf1.pdb | 1.1.1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.2 | 7.8 KB | ||
tyr-33-conf2.pdb | 1.1.1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.2 | 7.8 KB | ||
untitled01.gpr | 1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.8.1 | 1.2 KB | ||
VASP-5.2-POSCAR.vasp | 1.1.11 | 11 years ago | Package Import Robot | Import upstream version 1.1.0 | 6.9 KB | ||
ZnO.fract | 1.1.1 | 15 years ago | Bazaar Package Importer | Import upstream version 0.9.2 | 155 bytes |