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Searched refs:COLVAR (Results 76 – 100 of 454) sorted by relevance

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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-gpw-2-2/
H A DH2O-meta_res2.inp40 &COLVAR
46 &END COLVAR
47 &COLVAR
53 &END COLVAR
88 COLVAR 1
94 COLVAR 2
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-gpw-4/
H A DH2O-meta_hydro.inp33 COLVAR 1
38 COLVAR 2
77 &COLVAR
90 &END COLVAR
91 &COLVAR
100 &END COLVAR
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gpw-4/
H A DH2O-meta_hydro.inp33 COLVAR 1
38 COLVAR 2
77 &COLVAR
90 &END COLVAR
91 &COLVAR
100 &END COLVAR
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gpw-2-2/
H A DH2O-meta_res1.inp40 &COLVAR
46 &END COLVAR
47 &COLVAR
53 &END COLVAR
85 COLVAR 1
89 COLVAR 2
H A DH2O-meta_res2.inp40 &COLVAR
46 &END COLVAR
47 &COLVAR
53 &END COLVAR
88 COLVAR 1
94 COLVAR 2
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-gpw-2-3/
H A DH2O_meta_langevin.inp62 &COLVAR
72 &END COLVAR
73 &COLVAR
83 &END COLVAR
130 COLVAR 1
139 COLVAR 2
145 &COLVAR
/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gpw-2-3/
H A DH2O_meta_langevin.inp62 &COLVAR
72 &END COLVAR
73 &COLVAR
83 &END COLVAR
130 COLVAR 1
139 COLVAR 2
145 &COLVAR
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/SE/regtest-4/
H A D4ring.inp38 &COLVAR
43 &END COLVAR
65 COLVAR 1
68 &COLVAR
73 &END COLVAR
H A D4ring2.inp38 &COLVAR
43 &END COLVAR
65 COLVAR 1
68 &COLVAR
73 &END COLVAR
H A D5ring1.inp41 &COLVAR
46 &END COLVAR
68 COLVAR 1
71 &COLVAR
76 &END COLVAR
H A D5ring2.inp41 &COLVAR
46 &END COLVAR
68 COLVAR 1
71 &COLVAR
76 &END COLVAR
H A D5ring3.inp41 &COLVAR
46 &END COLVAR
68 COLVAR 1
71 &COLVAR
76 &END COLVAR
H A D4ring1.inp38 &COLVAR
43 &END COLVAR
65 COLVAR 1
68 &COLVAR
73 &END COLVAR
H A D6ring1.inp44 &COLVAR
49 &END COLVAR
71 COLVAR 1
74 &COLVAR
79 &END COLVAR
/dports/science/cp2k-data/cp2k-7.1.0/tests/SE/regtest-4/
H A D5ring2.inp41 &COLVAR
46 &END COLVAR
68 COLVAR 1
71 &COLVAR
76 &END COLVAR
H A D5ring3.inp41 &COLVAR
46 &END COLVAR
68 COLVAR 1
71 &COLVAR
76 &END COLVAR
H A D5ring1.inp41 &COLVAR
46 &END COLVAR
68 COLVAR 1
71 &COLVAR
76 &END COLVAR
H A D4ring.inp38 &COLVAR
43 &END COLVAR
65 COLVAR 1
68 &COLVAR
73 &END COLVAR
H A D4ring1.inp38 &COLVAR
43 &END COLVAR
65 COLVAR 1
68 &COLVAR
73 &END COLVAR
H A D4ring2.inp38 &COLVAR
43 &END COLVAR
65 COLVAR 1
68 &COLVAR
73 &END COLVAR
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/regtest-2/
H A DH2O-32_SPME_fixed_clv.inp68 &COLVAR
73 &COLVAR
78 &COLVAR
93 COLVAR 1
100 COLVAR 2
107 COLVAR 3
H A DH2O-32_SPME_fixed_cross_clv.inp68 &COLVAR
75 &COLVAR
82 &COLVAR
99 COLVAR 1
106 COLVAR 2
113 COLVAR 3
/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/regtest-2/
H A DH2O-32_SPME_fixed_clv.inp68 &COLVAR
73 &COLVAR
78 &COLVAR
93 COLVAR 1
100 COLVAR 2
107 COLVAR 3
H A DH2O-32_SPME_fixed_cross_clv.inp68 &COLVAR
75 &COLVAR
82 &COLVAR
99 COLVAR 1
106 COLVAR 2
113 COLVAR 3
/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/old_tutorials/belfast-8/second/metagui/
H A Dmetagui.input9 COLVAR_FILE COLVAR.0 ../traj0.xtc "psi-1"
10 COLVAR_FILE COLVAR.1 ../traj1.xtc "phi-2"
11 COLVAR_FILE COLVAR.2 ../traj2.xtc "psi-2"
12 COLVAR_FILE COLVAR.3 ../traj3.xtc "phi-3"

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