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Searched refs:shakew (Results 1 – 7 of 7) sorted by last modified time

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/myo/
H A Dmyo_em.out233 …shakew (SHAKE solvent) 21 1.328 0.133 0.7…
259 …shakew (SHAKE solvent) 21 1.344 0.134 0.7…
H A Dmyo_md.out365 …shakew (SHAKE solvent) 1000 1.940 .002 .3…
393 …shakew (SHAKE solvent) 1000 2.104 .002 .4…
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/water/
H A Dwaterp_md.out310 …shakew (SHAKE solvent) 10 0.131 0.013 2.0…
345 …shakew (SHAKE solvent) 10 0.109 0.011 1.6…
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/myo/
H A Dmyo_md.out365 …shakew (SHAKE solvent) 1000 1.940 .002 .3…
393 …shakew (SHAKE solvent) 1000 2.104 .002 .4…
H A Dmyo_em.out233 …shakew (SHAKE solvent) 21 1.328 0.133 0.7…
259 …shakew (SHAKE solvent) 21 1.344 0.134 0.7…
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/water/
H A Dwaterp_md.out310 …shakew (SHAKE solvent) 10 0.131 0.013 2.0…
345 …shakew (SHAKE solvent) 10 0.109 0.011 1.6…
/dports/games/dungeon/dungeon-3.2_1/
H A DVARS.H241 knockw, lookw, examiw, shakew, movew, trnonw, trnofw, openw, member