Home
last modified time | relevance | path

Searched refs:HR2 (Results 1 – 25 of 158) sorted by relevance

1234567

/dports/science/plumed/plumed2-2.7.2/regtest/dimred/rt-pca-2/
H A Ddiala_traj_nm.xyz23 HR2 0.221 0.254 0.283
47 HR2 0.221 0.254 0.283
71 HR2 0.256 0.075 0.364
95 HR2 0.288 0.201 0.221
119 HR2 0.201 0.153 0.366
143 HR2 0.215 0.222 0.298
167 HR2 0.215 0.24 0.259
191 HR2 0.239 0.201 0.328
215 HR2 0.338 0.143 0.202
239 HR2 0.344 0.092 0.235
[all …]
/dports/science/plumed/plumed2-2.7.2/regtest/dimred/rt-pca/
H A Ddiala_traj_nm.xyz23 HR2 0.221 0.254 0.283
47 HR2 0.221 0.254 0.283
71 HR2 0.256 0.075 0.364
95 HR2 0.288 0.201 0.221
119 HR2 0.201 0.153 0.366
143 HR2 0.215 0.222 0.298
167 HR2 0.215 0.24 0.259
191 HR2 0.239 0.201 0.328
215 HR2 0.338 0.143 0.202
239 HR2 0.344 0.092 0.235
[all …]
H A Dpca-comp.pdb.reference22 ATOM 21 HR2 ALA 1 2.843 1.185 1.726 1.00 1.00
46 ATOM 21 HR2 ALA 1 -0.547 0.209 0.491 1.00 1.00
70 ATOM 21 HR2 ALA 1 0.240 3.803 -2.326 1.00 1.00
/dports/science/plumed/plumed2-2.7.2/regtest/dimred/rt-pca-osample/
H A Ddiala_traj_nm.xyz23 HR2 0.221 0.254 0.283
47 HR2 0.221 0.254 0.283
71 HR2 0.256 0.075 0.364
95 HR2 0.288 0.201 0.221
119 HR2 0.201 0.153 0.366
143 HR2 0.215 0.222 0.298
167 HR2 0.215 0.24 0.259
191 HR2 0.239 0.201 0.328
215 HR2 0.338 0.143 0.202
239 HR2 0.344 0.092 0.235
[all …]
/dports/science/plumed/plumed2-2.7.2/regtest/basic/rt39-mpi/
H A Ddiala_traj_nm.xyz23 HR2 0.221 0.254 0.283
47 HR2 0.256 0.075 0.364
71 HR2 0.288 0.201 0.221
95 HR2 0.201 0.153 0.366
119 HR2 0.215 0.222 0.298
143 HR2 0.215 0.24 0.259
167 HR2 0.239 0.201 0.328
191 HR2 0.338 0.143 0.202
215 HR2 0.344 0.092 0.235
239 HR2 0.343 0.115 0.234
[all …]
/dports/science/plumed/plumed2-2.7.2/regtest/trajectories/
H A Ddiala_traj_nm.xyz23 HR2 0.221 0.254 0.283
47 HR2 0.256 0.075 0.364
71 HR2 0.288 0.201 0.221
95 HR2 0.201 0.153 0.366
119 HR2 0.215 0.222 0.298
143 HR2 0.215 0.24 0.259
167 HR2 0.239 0.201 0.328
191 HR2 0.338 0.143 0.202
215 HR2 0.344 0.092 0.235
239 HR2 0.343 0.115 0.234
[all …]
/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/old_tutorials/belfast-5/JARZ/MAKE_ENSEMBLE/
H A Dall.gro23 1ALAD HR2 21 0.229 0.241 0.198
48 1ALAD HR2 21 0.226 0.241 0.187
73 1ALAD HR2 21 0.239 0.241 0.224
98 1ALAD HR2 21 0.284 0.232 0.151
123 1ALAD HR2 21 0.333 0.121 0.150
148 1ALAD HR2 21 0.292 0.056 0.286
173 1ALAD HR2 21 0.231 0.158 0.303
198 1ALAD HR2 21 0.280 0.202 0.151
223 1ALAD HR2 21 0.211 0.238 0.250
248 1ALAD HR2 21 0.237 0.229 0.214
[all …]
H A Dc7eq.gro23 1ALAD HR2 21 0.229 0.241 0.198
/dports/science/lammps/lammps-stable_29Sep2021/lib/mesont/
H A DSpline1.f9046 real(c_double) :: H6, H26, HL, HR, HL2, HR2 local
53 HR2 = HR * HR
55 … S1 = ( ( Mi * HL2 - Mi_1 * HR2 ) / 2.0d+00 + Yi - Yi_1 ) / Hi_1 - H6 * ( Mi - Mi_1 )
130 real(c_double) :: HL, HR, H, H6, H26, HR2, HL2, HRH, HLH local
139 HR2 = HR * HR
152 real(c_double) :: HL, HR, H, H6, H26, HR2, HL2, HRH, HLH local
161 HR2 = HR * HR
165 … S1 = ( ( M(i) * HL2 - M(j) * HR2 ) / 2.0d+00 + F(i) - F(j) ) / H - H6 * ( M(i) - M(j) )
174 real(c_double) :: HL, HR, H, H6, H26, HR2, HL2, HRH, HLH local
183 HR2 = HR * HR
[all …]
/dports/science/lammps/lammps-stable_29Sep2021/tools/mesont/TMDPotGen/
H A DSpline1.f9031 real*8 :: H6, H26, HL, HR, HL2, HR2 local
38 HR2 = HR * HR
40 … S1 = ( ( Mi * HL2 - Mi_1 * HR2 ) / 2.0d+00 + Yi - Yi_1 ) / Hi_1 - H6 * ( Mi - Mi_1 )
115 real*8 :: HL, HR, H, H6, H26, HR2, HL2, HRH, HLH local
124 HR2 = HR * HR
137 real*8 :: HL, HR, H, H6, H26, HR2, HL2, HRH, HLH local
146 HR2 = HR * HR
150 … S1 = ( ( M(i) * HL2 - M(j) * HR2 ) / 2.0d+00 + F(i) - F(j) ) / H - H6 * ( M(i) - M(j) )
159 real*8 :: HL, HR, H, H6, H26, HR2, HL2, HRH, HLH local
168 HR2 = HR * HR
[all …]
/dports/games/devilutionX/devilutionX-1.2.1/Source/
H A Ddrlg_l1.cpp28 int HR2; variable
1450 HR2 = 0; in L5firstRoom()
1457 HR2 = random_(0, 2); in L5firstRoom()
1461 HR2 = 1; in L5firstRoom()
1467 if (HR2) in L5firstRoom()
1485 if (HR2) in L5firstRoom()
2072 if (HR2) { in L5FillChambers()
2085 if (HR1 && HR2) in L5FillChambers()
2087 if (HR2 && HR3) in L5FillChambers()
2089 if (HR1 && !HR2 && HR3) in L5FillChambers()
[all …]
/dports/science/gromacs/gromacs-2021.4/share/top/charmm27.ff/
H A Dffnonbonded.itp207 CP1 HR2 1 0.231633666716 0.0897368027066
325 CP2 HR2 1 0.231633666716 0.0897368027066
442 CP3 HR2 1 0.231633666716 0.0897368027066
558 CPT HR2 1 0.231633666716 0.26921040812
673 CT1 HR2 1 0.231633666716 0.0897368027066
1012 CT HR2 1 0.231633666716 0.0897368027066
1450 HP HR2 1 0.183364774168 0.155428701597
1768 O HR2 1 0.18708873081 0.310857403193
1872 OB HR2 1 0.18708873081 0.310857403193
1975 OCA HR2 1 0.18708873081 0.310857403193
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/data/charmm_s/
H A DHSP.frg13 10 HE1 HR2 0 0 0 2 1 0.180000 0.000000
H A DHSP_C.frg13 10 HE1 HR2 0 0 0 2 1 0.180000 0.000000
H A DHSP_N.frg15 12 HE1 HR2 0 0 0 2 1 0.180000 0.000000
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/data/charmm_s/
H A DHSP.frg13 10 HE1 HR2 0 0 0 2 1 0.180000 0.000000
H A DHSP_C.frg13 10 HE1 HR2 0 0 0 2 1 0.180000 0.000000
H A DHSP_N.frg15 12 HE1 HR2 0 0 0 2 1 0.180000 0.000000
/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/marvel-2/PCA-isocommittor/
H A Dstart.gro23 1ALAD HR2 21 -0.620 0.356 0.856 -0.7803 1.2050 -0.3380
/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/old_tutorials/belfast-2/FREE_DYNAMICS/
H A Dconfout.gro23 1ALAD HR2 21 -0.634 0.238 0.826 -1.9981 1.7007 2.4979
/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/old_tutorials/belfast-4/
H A Dconf.gro23 1ALAD HR2 21 -0.620 0.356 0.856 -0.7803 1.2050 -0.3380
/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/old_tutorials/belfast-5/STEER_ALONG_A_PATH/
H A Dc7eq.gro23 1ALAD HR2 21 0.229 0.241 0.198
H A Dstart.gro23 1ALAD HR2 21 -0.620 0.356 0.856 -0.7803 1.2050 -0.3380
/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/old_tutorials/belfast-5/TARGETED/
H A Dc7eq.gro23 1ALAD HR2 21 0.229 0.241 0.198
/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/old_tutorials/belfast-5/SIMPLE_STEER/
H A Dc7eq.gro23 1ALAD HR2 21 0.229 0.241 0.198

1234567