summaryrefslogtreecommitdiff
path: root/sim/src/tests/floppy_organics
ModeNameSize
-rwxr-xr-xAtom.py1990logplain
-rwxr-xr-xC2H6.mmp826logplain
-rwxr-xr-xC2H6.pdb1152logplain
-rwxr-xr-xC3H8.mmp957logplain
-rwxr-xr-xC3H8.pdb1551logplain
-rwxr-xr-xC4H10a.mmp1094logplain
-rwxr-xr-xC4H10a.pdb1950logplain
-rwxr-xr-xC4H10b.mmp1112logplain
-rwxr-xr-xC4H10b.pdb1950logplain
-rwxr-xr-xC4H10c.mmp1101logplain
-rwxr-xr-xC4H10c.pdb1950logplain
-rwxr-xr-xC4H8.mmp1015logplain
-rwxr-xr-xC4H8.pdb1684logplain
-rwxr-xr-xC5H10.mmp1151logplain
-rwxr-xr-xC5H10.pdb2083logplain
-rwxr-xr-xC5H12a.mmp1227logplain
-rwxr-xr-xC5H12a.pdb2349logplain
-rwxr-xr-xC5H12b.mmp1243logplain
-rwxr-xr-xC5H12b.pdb2349logplain
-rwxr-xr-xC5H12c.mmp1237logplain
-rwxr-xr-xC5H12c.pdb2349logplain
-rwxr-xr-xC5H12d.mmp1237logplain
-rwxr-xr-xC5H12d.pdb2349logplain
-rwxr-xr-xC5H12e.mmp1238logplain
-rwxr-xr-xC5H12e.pdb2349logplain
-rwxr-xr-xC6H12a.mmp1265logplain
-rwxr-xr-xC6H12a.pdb2482logplain
-rwxr-xr-xC6H12b.mmp1269logplain
-rwxr-xr-xC6H12b.pdb2482logplain
-rwxr-xr-xC6H14a.mmp1362logplain
-rwxr-xr-xC6H14a.pdb2748logplain
-rwxr-xr-xC6H14b.mmp1364logplain
-rwxr-xr-xC6H14b.pdb2748logplain
-rwxr-xr-xC6H14c.mmp1373logplain
-rwxr-xr-xC6H14c.pdb2748logplain
-rwxr-xr-xC6H14d.mmp1363logplain
-rwxr-xr-xC6H14d.pdb2748logplain
-rwxr-xr-xC6H14e.mmp1376logplain
-rwxr-xr-xC6H14e.pdb2748logplain
-rwxr-xr-xC6H14f.mmp1366logplain
-rwxr-xr-xC6H14f.pdb2748logplain
-rwxr-xr-xC7H14a.mmp1404logplain
-rwxr-xr-xC7H14a.pdb2881logplain
-rwxr-xr-xC7H14b.mmp1402logplain
-rwxr-xr-xC7H14b.pdb2881logplain
-rwxr-xr-xC7H14c.mmp1407logplain
-rwxr-xr-xC7H14c.pdb2881logplain
-rwxr-xr-xCH4.mmp700logplain
-rwxr-xr-xCH4.pdb753logplain
-rwxr-xr-xCreateTests.py972logplain
-rwxr-xr-xMmpFile.py3958logplain
-rwxr-xr-xXyzFile.py2477logplain
-rwxr-xr-xtest_C2H6.md5sums80logplain
-rwxr-xr-xtest_C2H6.mmp838logplain
-rwxr-xr-xtest_C2H6.test12logplain
-rwxr-xr-xtest_C2H6.xyzcmp253logplain
-rwxr-xr-xtest_C3H8.md5sums80logplain
-rwxr-xr-xtest_C3H8.mmp968logplain
-rwxr-xr-xtest_C3H8.test12logplain
-rwxr-xr-xtest_C3H8.xyzcmp347logplain
-rwxr-xr-xtest_C4H10a.md5sums80logplain
-rwxr-xr-xtest_C4H10a.mmp1106logplain
-rwxr-xr-xtest_C4H10a.test12logplain
-rwxr-xr-xtest_C4H10a.xyzcmp441logplain
-rwxr-xr-xtest_C4H10b.md5sums80logplain
-rwxr-xr-xtest_C4H10b.mmp1108logplain
-rwxr-xr-xtest_C4H10b.test12logplain
-rwxr-xr-xtest_C4H10b.xyzcmp441logplain
-rwxr-xr-xtest_C4H10c.md5sums80logplain
-rwxr-xr-xtest_C4H10c.mmp1100logplain
-rwxr-xr-xtest_C4H10c.test12logplain
-rwxr-xr-xtest_C4H10c.xyzcmp439logplain
-rwxr-xr-xtest_C4H8.md5sums80logplain
-rwxr-xr-xtest_C4H8.mmp1013logplain
-rwxr-xr-xtest_C4H8.test12logplain
-rwxr-xr-xtest_C4H8.xyzcmp379logplain
-rwxr-xr-xtest_C5H10.md5sums80logplain
-rwxr-xr-xtest_C5H10.mmp1151logplain
-rwxr-xr-xtest_C5H10.test12logplain
-rwxr-xr-xtest_C5H10.xyzcmp474logplain
-rwxr-xr-xtest_C5H12a.md5sums80logplain
-rwxr-xr-xtest_C5H12a.mmp1237logplain
-rwxr-xr-xtest_C5H12a.test12logplain
-rwxr-xr-xtest_C5H12a.xyzcmp531logplain
-rwxr-xr-xtest_C5H12b.md5sums80logplain
-rwxr-xr-xtest_C5H12b.mmp1237logplain
-rwxr-xr-xtest_C5H12b.test12logplain
-rwxr-xr-xtest_C5H12b.xyzcmp539logplain
-rwxr-xr-xtest_C5H12c.md5sums80logplain
-rwxr-xr-xtest_C5H12c.mmp1237logplain
-rwxr-xr-xtest_C5H12c.test12logplain
-rwxr-xr-xtest_C5H12c.xyzcmp533logplain
-rwxr-xr-xtest_C5H12d.md5sums80logplain
-rwxr-xr-xtest_C5H12d.mmp1242logplain
-rwxr-xr-xtest_C5H12d.test12logplain
-rwxr-xr-xtest_C5H12d.xyzcmp533logplain
-rwxr-xr-xtest_C5H12e.md5sums80logplain
-rwxr-xr-xtest_C5H12e.mmp1233logplain
-rwxr-xr-xtest_C5H12e.test12logplain
-rwxr-xr-xtest_C5H12e.xyzcmp534logplain
-rwxr-xr-xtest_C6H12a.md5sums80logplain
-rwxr-xr-xtest_C6H12a.mmp1279logplain
-rwxr-xr-xtest_C6H12a.test12logplain
-rwxr-xr-xtest_C6H12a.xyzcmp563logplain
-rwxr-xr-xtest_C6H12b.md5sums80logplain
-rwxr-xr-xtest_C6H12b.mmp1277logplain
-rwxr-xr-xtest_C6H12b.test12logplain
-rwxr-xr-xtest_C6H12b.xyzcmp563logplain
-rwxr-xr-xtest_C6H14a.md5sums80logplain
-rwxr-xr-xtest_C6H14a.mmp1370logplain
-rwxr-xr-xtest_C6H14a.test12logplain
-rwxr-xr-xtest_C6H14a.xyzcmp625logplain
-rwxr-xr-xtest_C6H14b.md5sums80logplain
-rwxr-xr-xtest_C6H14b.mmp1377logplain
-rwxr-xr-xtest_C6H14b.test12logplain
-rwxr-xr-xtest_C6H14b.xyzcmp623logplain
-rwxr-xr-xtest_C6H14c.md5sums80logplain
-rwxr-xr-xtest_C6H14c.mmp1373logplain
-rwxr-xr-xtest_C6H14c.test12logplain
-rwxr-xr-xtest_C6H14c.xyzcmp624logplain
-rwxr-xr-xtest_C6H14d.md5sums80logplain
-rwxr-xr-xtest_C6H14d.mmp1372logplain
-rwxr-xr-xtest_C6H14d.test12logplain
-rwxr-xr-xtest_C6H14d.xyzcmp622logplain
-rwxr-xr-xtest_C6H14e.md5sums80logplain
-rwxr-xr-xtest_C6H14e.mmp1371logplain
-rwxr-xr-xtest_C6H14e.test12logplain
-rwxr-xr-xtest_C6H14e.xyzcmp631logplain
-rwxr-xr-xtest_C6H14f.md5sums80logplain
-rwxr-xr-xtest_C6H14f.mmp1376logplain
-rwxr-xr-xtest_C6H14f.test12logplain
-rwxr-xr-xtest_C6H14f.xyzcmp623logplain
-rwxr-xr-xtest_C7H14a.md5sums80logplain
-rwxr-xr-xtest_C7H14a.mmp1410logplain
-rwxr-xr-xtest_C7H14a.test12logplain
-rwxr-xr-xtest_C7H14a.xyzcmp654logplain
-rwxr-xr-xtest_C7H14b.md5sums80logplain
-rwxr-xr-xtest_C7H14b.mmp1405logplain
-rwxr-xr-xtest_C7H14b.test12logplain
-rwxr-xr-xtest_C7H14b.xyzcmp652logplain
-rwxr-xr-xtest_C7H14c.md5sums80logplain
-rwxr-xr-xtest_C7H14c.mmp1413logplain
-rwxr-xr-xtest_C7H14c.test12logplain
-rwxr-xr-xtest_C7H14c.xyzcmp653logplain
-rwxr-xr-xtest_CH4.md5sums80logplain
-rwxr-xr-xtest_CH4.mmp711logplain
-rwxr-xr-xtest_CH4.test12logplain
-rwxr-xr-xtest_CH4.xyzcmp158logplain