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/dports/science/lammps/lammps-stable_29Sep2021/tools/ch2lmp/example-cmap/
H A D1gb1.data2995 20 23 24 22 # CT1 CT1
3072 97 23 100 98 # CT1 CT1
3153 178 23 181 179 # CT1 CT1
3230 255 23 258 256 # CT1 CT1
3244 269 23 272 270 # CT1 CT1
3258 283 23 286 284 # CT1 CT1
3297 322 23 325 323 # CT1 CT1
3345 370 23 373 371 # CT1 CT1
3406 431 23 434 432 # CT1 CT1
3561 586 23 587 585 # CT1 CT1
[all …]
/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/filter_corotate/
H A Ddata.bpti3697 5 0.2 3 0 0 # C CT1 CT1 CT2
3698 6 0.2 3 0 0 # C CT1 CT1 CT3
3699 7 0.2 3 0 0 # C CT1 CT1 HA
3700 8 0.2 3 0 0 # C CT1 CT1 OH1
3703 11 0.2 3 0 0 # C CT1 CT2 CT1
3721 29 1.8 1 0 0 # C NH1 CT1 CT1
3777 85 1.6 1 0 0 # CT1 C NH1 CT1
3782 90 0 1 0 0 # CT1 CT1 C NH1
3783 91 1.4 1 0 0 # CT1 CT1 C O
3785 93 0.2 3 0 0 # CT1 CT1 CT2 HA
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/sample_pot/
H A Daala.pot10 NH1 CT1 320.000 1.4300
11 HB CT1 330.000 1.0800
12 CT3 CT1 222.500 1.5380
13 CT1 C 250.000 1.4900
31 CT1 NH1 C 50.000 120.0000
32 H NH1 CT1 35.000 117.0000
33 NH1 CT1 HB 48.000 108.0000
34 NH1 CT1 CT3 70.000 113.5000
35 NH1 CT1 C 50.000 107.0000
79 CT1 C NH1 CT1 1.6000 1 0.00
[all …]
H A Ddeca_ala.pot10 NH1 CT1 320.000 1.4300
11 HB CT1 330.000 1.0800
12 CT3 CT1 222.500 1.5380
13 CT1 C 250.000 1.4900
31 CT1 NH1 C 50.000 120.0000
32 H NH1 CT1 35.000 117.0000
33 NH1 CT1 HB 48.000 108.0000
34 NH1 CT1 CT3 70.000 113.5000
35 NH1 CT1 C 50.000 107.0000
79 CT1 C NH1 CT1 1.6000 1 0.00
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/sample_pot/
H A Daala.pot10 NH1 CT1 320.000 1.4300
11 HB CT1 330.000 1.0800
12 CT3 CT1 222.500 1.5380
13 CT1 C 250.000 1.4900
31 CT1 NH1 C 50.000 120.0000
32 H NH1 CT1 35.000 117.0000
33 NH1 CT1 HB 48.000 108.0000
34 NH1 CT1 CT3 70.000 113.5000
35 NH1 CT1 C 50.000 107.0000
79 CT1 C NH1 CT1 1.6000 1 0.00
[all …]
H A Ddeca_ala.pot10 NH1 CT1 320.000 1.4300
11 HB CT1 330.000 1.0800
12 CT3 CT1 222.500 1.5380
13 CT1 C 250.000 1.4900
31 CT1 NH1 C 50.000 120.0000
32 H NH1 CT1 35.000 117.0000
33 NH1 CT1 HB 48.000 108.0000
34 NH1 CT1 CT3 70.000 113.5000
35 NH1 CT1 C 50.000 107.0000
79 CT1 C NH1 CT1 1.6000 1 0.00
[all …]
/dports/science/tinker/tinker/test/
H A Dgpcr.xyz3 2 CT1 23.122377 26.275593 -15.762096 24 1 3 8 9
10 9 CT1 21.642207 26.002650 -15.431414 36 2 10 11 12
26 25 CT1 22.071636 30.931043 -15.313555 23 24 26 29 30
64 63 CT1 24.855218 32.537896 -10.457802 23 62 64 67 68
79 78 CT1 23.791658 28.965467 -9.563481 23 77 79 82 83
103 102 CT1 27.225618 28.312743 -7.940071 23 101 103 106 107
108 107 CT1 28.589663 28.629246 -8.565149 25 102 108 109 111
122 121 CT1 26.432475 30.895829 -5.207991 23 120 122 125 126
146 145 CT1 22.901539 29.484492 -4.886731 23 144 146 149 150
152 151 CT1 21.496554 30.875607 -6.557637 25 150 152 153 156
[all …]
/dports/science/lammps/lammps-stable_29Sep2021/examples/cmap/
H A Dgagg.data27 6 12.011 # CT1
91 1 250 1.49 # C CT1
97 7 222.5 1.538 # CT1 CT3
98 8 330 1.08 # CT1 HB
99 9 320 1.43 # CT1 NH1
118 10 7 14 12 # CT1 CT3
120 12 9 10 12 # CT1 NH1
121 13 1 18 12 # C CT1
123 15 8 12 13 # CT1 HB
194 17 7 8 10 12 # C NH1 CT1
[all …]
/dports/sysutils/vector/vector-0.10.0/cargo-crates/plotters-0.2.12/src/chart/
H A Ddual_coord.rs25 primary: ChartState<CT1>,
30 DualCoordChartContext<'a, DB, CT1, CT2>
50 DualCoordChartContext<'a, DB, CT1, CT2>
52 CT1: Clone,
64 impl<CT1: CoordTranslate, CT2: CoordTranslate> DualCoordChartState<CT1, CT2> {
79 From<DualCoordChartContext<'a, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
81 fn from(chart: DualCoordChartContext<'a, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
87 From<&'b DualCoordChartContext<'a, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
89 fn from(chart: &'b DualCoordChartContext<'a, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
201 Borrow<ChartContext<'a, DB, CT1>> for DualCoordChartContext<'a, DB, CT1, CT2>
[all …]
/dports/devel/stylua/StyLua-0.11.0/cargo-crates/plotters-0.3.1/src/chart/
H A Ddual_coord.rs36 primary: ChartState<CT1>,
41 DualCoordChartContext<'_, DB, CT1, CT2>
62 CT1: Clone, in to_chart_state()
72 impl<CT1: CoordTranslate, CT2: CoordTranslate> DualCoordChartState<CT1, CT2> {
87 From<DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
89 fn from(chart: DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
95 From<&'b DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
97 fn from(chart: &'b DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
173 CT1: CoordTranslate,
211 Borrow<ChartContext<'a, DB, CT1>> for DualCoordChartContext<'a, DB, CT1, CT2>
[all …]
/dports/multimedia/librav1e/rav1e-0.5.1/cargo-crates/plotters-0.3.1/src/chart/
H A Ddual_coord.rs36 primary: ChartState<CT1>,
41 DualCoordChartContext<'_, DB, CT1, CT2>
62 CT1: Clone, in to_chart_state()
72 impl<CT1: CoordTranslate, CT2: CoordTranslate> DualCoordChartState<CT1, CT2> {
87 From<DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
89 fn from(chart: DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
95 From<&'b DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
97 fn from(chart: &'b DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
173 CT1: CoordTranslate,
211 Borrow<ChartContext<'a, DB, CT1>> for DualCoordChartContext<'a, DB, CT1, CT2>
[all …]
/dports/multimedia/rav1e/rav1e-0.5.1/cargo-crates/plotters-0.3.1/src/chart/
H A Ddual_coord.rs36 primary: ChartState<CT1>,
41 DualCoordChartContext<'_, DB, CT1, CT2>
62 CT1: Clone, in to_chart_state()
72 impl<CT1: CoordTranslate, CT2: CoordTranslate> DualCoordChartState<CT1, CT2> {
87 From<DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
89 fn from(chart: DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
95 From<&'b DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
97 fn from(chart: &'b DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
173 CT1: CoordTranslate,
211 Borrow<ChartContext<'a, DB, CT1>> for DualCoordChartContext<'a, DB, CT1, CT2>
[all …]
/dports/misc/xplr/xplr-0.17.0/cargo-crates/plotters-0.3.1/src/chart/
H A Ddual_coord.rs36 primary: ChartState<CT1>,
41 DualCoordChartContext<'_, DB, CT1, CT2>
62 CT1: Clone, in to_chart_state()
72 impl<CT1: CoordTranslate, CT2: CoordTranslate> DualCoordChartState<CT1, CT2> {
87 From<DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
89 fn from(chart: DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
95 From<&'b DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
97 fn from(chart: &'b DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
173 CT1: CoordTranslate,
211 Borrow<ChartContext<'a, DB, CT1>> for DualCoordChartContext<'a, DB, CT1, CT2>
[all …]
/dports/net-im/libsignal-client/libsignal-client-0.9.6/cargo-crates/plotters-0.3.0/src/chart/
H A Ddual_coord.rs36 primary: ChartState<CT1>,
41 DualCoordChartContext<'_, DB, CT1, CT2>
62 CT1: Clone, in to_chart_state()
72 impl<CT1: CoordTranslate, CT2: CoordTranslate> DualCoordChartState<CT1, CT2> {
87 From<DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
89 fn from(chart: DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
95 From<&'b DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
97 fn from(chart: &'b DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
173 CT1: CoordTranslate,
211 Borrow<ChartContext<'a, DB, CT1>> for DualCoordChartContext<'a, DB, CT1, CT2>
[all …]
/dports/net-im/zkgroup/zkgroup-0.7.4/cargo-crates/plotters-0.3.1/src/chart/
H A Ddual_coord.rs36 primary: ChartState<CT1>,
41 DualCoordChartContext<'_, DB, CT1, CT2>
62 CT1: Clone, in to_chart_state()
72 impl<CT1: CoordTranslate, CT2: CoordTranslate> DualCoordChartState<CT1, CT2> {
87 From<DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
89 fn from(chart: DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
95 From<&'b DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
97 fn from(chart: &'b DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
173 CT1: CoordTranslate,
211 Borrow<ChartContext<'a, DB, CT1>> for DualCoordChartContext<'a, DB, CT1, CT2>
[all …]
/dports/graphics/pastel/pastel-0.8.1/cargo-crates/plotters-0.3.1/src/chart/
H A Ddual_coord.rs36 primary: ChartState<CT1>,
41 DualCoordChartContext<'_, DB, CT1, CT2>
62 CT1: Clone, in to_chart_state()
72 impl<CT1: CoordTranslate, CT2: CoordTranslate> DualCoordChartState<CT1, CT2> {
87 From<DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
89 fn from(chart: DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
95 From<&'b DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
97 fn from(chart: &'b DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
173 CT1: CoordTranslate,
211 Borrow<ChartContext<'a, DB, CT1>> for DualCoordChartContext<'a, DB, CT1, CT2>
[all …]
/dports/textproc/jql/jql-3.0.6/cargo-crates/plotters-0.3.1/src/chart/
H A Ddual_coord.rs36 primary: ChartState<CT1>,
41 DualCoordChartContext<'_, DB, CT1, CT2>
62 CT1: Clone, in to_chart_state()
72 impl<CT1: CoordTranslate, CT2: CoordTranslate> DualCoordChartState<CT1, CT2> {
87 From<DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
89 fn from(chart: DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
95 From<&'b DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
97 fn from(chart: &'b DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
173 CT1: CoordTranslate,
211 Borrow<ChartContext<'a, DB, CT1>> for DualCoordChartContext<'a, DB, CT1, CT2>
[all …]
/dports/benchmarks/inferno/inferno-0.10.9/cargo-crates/plotters-0.3.1/src/chart/
H A Ddual_coord.rs36 primary: ChartState<CT1>,
41 DualCoordChartContext<'_, DB, CT1, CT2>
62 CT1: Clone, in to_chart_state()
72 impl<CT1: CoordTranslate, CT2: CoordTranslate> DualCoordChartState<CT1, CT2> {
87 From<DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
89 fn from(chart: DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
95 From<&'b DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
97 fn from(chart: &'b DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
173 CT1: CoordTranslate,
211 Borrow<ChartContext<'a, DB, CT1>> for DualCoordChartContext<'a, DB, CT1, CT2>
[all …]
/dports/textproc/angle-grinder/angle-grinder-0.18.0/cargo-crates/plotters-0.3.0/src/chart/
H A Ddual_coord.rs36 primary: ChartState<CT1>,
41 DualCoordChartContext<'_, DB, CT1, CT2>
62 CT1: Clone, in to_chart_state()
72 impl<CT1: CoordTranslate, CT2: CoordTranslate> DualCoordChartState<CT1, CT2> {
87 From<DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
89 fn from(chart: DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
95 From<&'b DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
97 fn from(chart: &'b DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
173 CT1: CoordTranslate,
211 Borrow<ChartContext<'a, DB, CT1>> for DualCoordChartContext<'a, DB, CT1, CT2>
[all …]
/dports/graphics/librsvg2-rust/librsvg-2.52.8/vendor/plotters/src/chart/
H A Ddual_coord.rs36 primary: ChartState<CT1>,
41 DualCoordChartContext<'_, DB, CT1, CT2>
62 CT1: Clone, in to_chart_state()
72 impl<CT1: CoordTranslate, CT2: CoordTranslate> DualCoordChartState<CT1, CT2> {
87 From<DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
89 fn from(chart: DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
95 From<&'b DualCoordChartContext<'_, DB, CT1, CT2>> for DualCoordChartState<CT1, CT2>
97 fn from(chart: &'b DualCoordChartContext<'_, DB, CT1, CT2>) -> DualCoordChartState<CT1, CT2> { in from() argument
173 CT1: CoordTranslate,
211 Borrow<ChartContext<'a, DB, CT1>> for DualCoordChartContext<'a, DB, CT1, CT2>
[all …]
/dports/science/tinker/tinker/bench/
H A Dbench3.xyz3 2 CT1 16.856474 12.367708 5.003458 24 1 3 8 9
10 9 CT1 17.704600 11.436240 5.874983 36 2 10 11 12
19 18 CT1 13.151252 11.714254 5.755981 23 17 19 22 23
24 23 CT1 12.205330 11.147516 4.708229 36 18 24 25 26
33 32 CT1 13.465153 10.779684 9.452486 23 31 33 36 37
43 42 CT1 10.525935 9.194594 11.307105 23 41 43 46 47
67 66 CT1 8.608822 5.448121 14.896084 23 65 67 70 71
78 77 CT1 8.691288 2.141938 12.963002 23 76 78 81 82
83 82 CT1 8.928300 0.773859 13.607322 25 77 83 84 86
97 96 CT1 4.924791 2.620488 12.320610 23 95 97 100 101
[all …]
/dports/science/tinker/tinker/example/
H A Dcrambin.xyz3 2 CT1 16.938000 12.834000 4.234000 24 1 3 8 9
10 9 CT1 18.103000 12.875000 5.202000 36 2 10 11 12
19 18 CT1 13.856000 11.498000 5.932000 23 17 19 22 23
24 23 CT1 12.785000 10.742000 5.129000 36 18 24 25 26
33 32 CT1 13.607000 10.675000 9.600000 23 31 33 36 37
43 42 CT1 10.681000 8.944000 11.326000 23 41 43 46 47
67 66 CT1 8.755000 5.347000 15.231000 23 65 67 70 71
78 77 CT1 8.829000 2.039000 13.300000 23 76 78 81 82
83 82 CT1 8.928000 0.644000 13.932000 25 77 83 84 86
97 96 CT1 5.099000 2.259000 12.380000 23 95 97 100 101
[all …]
/dports/biology/molden/molden5.8/test/
H A Dtinker_charmm.xyz3 2 CT1 16.868000 12.814000 4.233000 23 1 3 8 9
10 9 CT1 18.060000 12.807000 5.200000 36 2 10 11 12
19 18 CT1 13.832000 11.480000 5.936000 22 17 19 22 23
24 23 CT1 12.704000 10.758000 5.178000 36 18 24 25 26
33 32 CT1 13.564000 10.664000 9.653000 22 31 33 36 37
43 42 CT1 10.657000 8.927000 11.341000 22 41 43 46 47
67 66 CT1 8.706000 5.341000 15.230000 22 65 67 70 71
78 77 CT1 8.941000 2.087000 13.267000 22 76 78 81 82
83 82 CT1 9.193000 0.736000 13.880000 25 77 83 84 86
97 96 CT1 5.250000 2.180000 12.300000 22 95 97 100 101
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/FE/regtest-3/
H A Dser_s.pot18 CT1 H11 340.000000000 1.090000000
21 N CT1 337.000000000 1.449000000
22 CT1 CT2 310.000000000 1.526000000
23 CT1 C 317.000000000 1.522000000
40 N CT1 H11 50.000000000 109.500046929
41 H N CT1 50.000000000 118.040050474
42 CT1 CT2 H12 50.000000000 109.500046929
43 H11 CT1 CT2 50.000000000 109.500046929
44 H11 CT1 C 50.000000000 109.500046929
48 N CT1 CT2 80.000000000 109.700047015
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/tests/FE/regtest-3/
H A Dser_s.pot18 CT1 H11 340.000000000 1.090000000
21 N CT1 337.000000000 1.449000000
22 CT1 CT2 310.000000000 1.526000000
23 CT1 C 317.000000000 1.522000000
40 N CT1 H11 50.000000000 109.500046929
41 H N CT1 50.000000000 118.040050474
42 CT1 CT2 H12 50.000000000 109.500046929
43 H11 CT1 CT2 50.000000000 109.500046929
44 H11 CT1 C 50.000000000 109.500046929
48 N CT1 CT2 80.000000000 109.700047015
[all …]

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