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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/pb_s_am/pbsam/pbsam_test_files/electrostatic_test/fas2/
H A Dfas2_cg.pqr1 ATOM 0 C CHG A0 -12.018 2.879 10.457 0.1850 1.8240
2 ATOM 1 C CHG A0 -12.751 2.407 9.947 0.1900 1.0000
3 ATOM 2 C CHG A0 -12.509 3.347 11.205 0.1900 1.0000
4 ATOM 3 C CHG A0 -11.467 2.077 10.727 0.1900 1.0000
5 ATOM 4 C CHG A0 -11.197 3.719 9.489 -0.0390 1.9080
6 ATOM 5 C CHG A0 -11.766 4.637 9.342 0.1010 1.3870
7 ATOM 6 C CHG A0 -9.909 4.250 10.118 0.3650 1.9080
8 ATOM 7 C CHG A0 -9.275 3.401 10.376 0.0040 1.3870
9 ATOM 8 C CHG A0 -9.139 5.190 9.193 -0.2440 1.9080
10 ATOM 9 C CHG A0 -8.683 4.636 8.372 0.0640 1.4870
[all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/pb_s_am/pbsam/pbsam_test_files/gtest/
H A Dtest_cged.pqr1 ATOM 0 C CHG A0 12.609 3.211 1.550 0.1592 1.8240
2 ATOM 1 C CHG A0 12.589 4.671 1.254 0.0221 1.9080
3 ATOM 2 C CHG A0 11.448 5.325 2.036 0.6123 1.9080
4 ATOM 3 C CHG A0 10.851 4.711 2.919 -0.5713 1.6612
5 ATOM 4 C CHG A0 12.404 4.877 -0.270 0.0865 1.9080
6 ATOM 5 C CHG A0 11.252 3.990 -0.793 0.0334 1.9080
7 ATOM 6 C CHG A0 10.821 4.467 -2.494 -0.2774 2.0000
8 ATOM 7 C CHG A0 12.400 4.086 -3.298 -0.0341 1.9080
9 ATOM 8 C CHG A0 13.455 2.782 1.124 0.1984 0.6000
10 ATOM 9 C CHG A0 11.757 2.765 1.151 0.1984 0.6000
[all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/pb_s_am/pbsam/pbsam_test_files/energyforce_test/
H A Dgly_cg.pqr1 ATOM 0 C CHG A1 -17.486 -7.637 -13.955 -0.1550 1.8700
2 ATOM 1 C CHG A1 -15.986 -7.637 -13.955 0.6500 1.8700
3 ATOM 2 C CHG A1 -15.299 -6.664 -13.955 -0.5330 1.7600
4 ATOM 3 C CHG A1 -15.504 -8.876 -13.944 -0.4280 1.5200
5 ATOM 4 C CHG A1 -14.106 -9.095 -13.874 0.1240 1.8700
6 ATOM 5 C CHG A1 -13.650 -9.325 -12.438 0.1220 1.8700
7 ATOM 6 C CHG A1 -12.300 -10.012 -12.408 0.1430 1.8700
8 ATOM 7 C CHG A1 -12.005 -10.305 -11.054 -0.4260 1.5200
9 ATOM 8 C CHG A1 -10.845 -10.895 -10.793 0.6450 1.8700
10 ATOM 9 C CHG A1 -10.660 -11.128 -9.321 -0.1550 1.8700
[all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/pb_s_am/pbsam/pbsam_test_files/dynamics_test/time/
H A Dgly_cg.pqr1 ATOM 0 C CHG A1 -17.486 -7.637 -13.955 -0.1550 1.8700
2 ATOM 1 C CHG A1 -15.986 -7.637 -13.955 0.6500 1.8700
3 ATOM 2 C CHG A1 -15.299 -6.664 -13.955 -0.5330 1.7600
4 ATOM 3 C CHG A1 -15.504 -8.876 -13.944 -0.4280 1.5200
5 ATOM 4 C CHG A1 -14.106 -9.095 -13.874 0.1240 1.8700
6 ATOM 5 C CHG A1 -13.650 -9.325 -12.438 0.1220 1.8700
7 ATOM 6 C CHG A1 -12.300 -10.012 -12.408 0.1430 1.8700
8 ATOM 7 C CHG A1 -12.005 -10.305 -11.054 -0.4260 1.5200
9 ATOM 8 C CHG A1 -10.845 -10.895 -10.793 0.6450 1.8700
10 ATOM 9 C CHG A1 -10.660 -11.128 -9.321 -0.1550 1.8700
[all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/pbsam-gly/
H A Dgly_cg.pqr1 ATOM 0 C CHG A0 -3.743 1.181 -1.978 -0.1550 1.8700
2 ATOM 1 C CHG A0 -2.243 1.181 -1.978 0.6500 1.8700
3 ATOM 2 C CHG A0 -1.556 2.154 -1.978 -0.5330 1.7600
4 ATOM 3 C CHG A0 -1.761 -0.058 -1.967 -0.4280 1.5200
5 ATOM 4 C CHG A0 -0.363 -0.277 -1.897 0.1240 1.8700
6 ATOM 5 C CHG A0 0.093 -0.507 -0.461 0.1220 1.8700
7 ATOM 6 C CHG A0 1.443 -1.194 -0.431 0.1430 1.8700
8 ATOM 7 C CHG A0 1.738 -1.487 0.923 -0.4260 1.5200
9 ATOM 8 C CHG A0 2.898 -2.077 1.184 0.6450 1.8700
10 ATOM 9 C CHG A0 3.083 -2.310 2.656 -0.1550 1.8700
[all …]
H A Dgly_cg2.pqr1 ATOM 34 C CHG A1 8.257 13.181 10.022 -0.1550 1.8700
2 ATOM 35 C CHG A1 9.757 13.181 10.022 0.6500 1.8700
3 ATOM 36 C CHG A1 10.444 14.154 10.022 -0.5330 1.7600
4 ATOM 37 C CHG A1 10.239 11.942 10.033 -0.4280 1.5200
5 ATOM 38 C CHG A1 11.637 11.723 10.103 0.1240 1.8700
6 ATOM 39 C CHG A1 12.093 11.493 11.539 0.1220 1.8700
7 ATOM 40 C CHG A1 13.443 10.806 11.569 0.1430 1.8700
8 ATOM 41 C CHG A1 13.738 10.513 12.923 -0.4260 1.5200
9 ATOM 42 C CHG A1 14.898 9.923 13.184 0.6450 1.8700
10 ATOM 43 C CHG A1 15.083 9.690 14.656 -0.1550 1.8700
[all …]
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/ForceField/MMFF/test_data/
H A DMMFF94_dative.sdf59 M CHG 1 6 -1
117 M CHG 1 1 1
175 M CHG 1 23 1
176 M CHG 1 26 -1
194 M CHG 1 2 -1
195 M CHG 1 6 -1
251 M CHG 1 3 2
252 M CHG 1 5 -1
253 M CHG 1 6 -1
434 M CHG 1 9 2
[all …]
H A DMMFF94s_dative.sdf56 M CHG 1 1 1
183 M CHG 1 9 2
184 M CHG 1 34 1
185 M CHG 1 35 -1
249 M CHG 1 1 2
250 M CHG 1 2 -1
251 M CHG 1 3 -1
252 M CHG 1 4 -1
253 M CHG 1 6 1
784 M CHG 1 1 1
[all …]
H A DMMFF94_hypervalent.sdf59 M CHG 1 6 -1
117 M CHG 1 1 1
175 M CHG 1 23 1
176 M CHG 1 26 -1
194 M CHG 1 2 -1
195 M CHG 1 6 -1
431 M CHG 1 9 2
432 M CHG 1 34 1
433 M CHG 1 35 -1
497 M CHG 1 4 -1
[all …]
H A DMMFF94s_hypervalent.sdf56 M CHG 1 1 1
183 M CHG 1 9 2
184 M CHG 1 34 1
185 M CHG 1 35 -1
249 M CHG 1 4 -1
250 M CHG 1 6 1
781 M CHG 1 1 1
782 M CHG 1 14 -1
1406 M CHG 1 1 2
1518 M CHG 1 6 1
[all …]
/dports/science/py-oddt/oddt-0.7/tests/data/dude/xiap/
H A Dactives_rdkit.sdf86 M CHG 1 38 1
174 M CHG 1 38 1
262 M CHG 1 38 1
350 M CHG 1 38 1
616 M CHG 1 34 1
660 M CHG 1 17 -1
704 M CHG 1 18 -1
756 M CHG 1 21 -1
808 M CHG 1 22 -1
884 M CHG 1 33 1
[all …]
/dports/archivers/zip/zip30/macos/
H A DHISTORY.TXT17 1) CHG: {unzip} switch to latest final release
20 2) CHG: {zip} switch to latest beta release
31 1) CHG: {unzip} switch to latest final release
34 2) CHG: switch to latest release of Apples
37 3) CHG: switch to latest release of
47 1) CHG: {unzip} switch to latest beta release
58 1) CHG: {zip} switch to latest beta release
111 1) CHG: {zip} switch to latest source level
186 4) CHG: {zip} enhanced progress display.
515 3) CHG: use of shared code izshr 032.
[all …]
/dports/archivers/unzip/unzip60/macos/
H A DHISTORY.TXT17 1) CHG: {unzip} switch to latest final release
20 2) CHG: {zip} switch to latest beta release
31 1) CHG: {unzip} switch to latest final release
34 2) CHG: switch to latest release of Apples
37 3) CHG: switch to latest release of
47 1) CHG: {unzip} switch to latest beta release
58 1) CHG: {zip} switch to latest beta release
111 1) CHG: {zip} switch to latest source level
186 4) CHG: {zip} enhanced progress display.
515 3) CHG: use of shared code izshr 032.
[all …]
/dports/science/openbabel/openbabel-3.1.1/test/files/
H A Dmore-mmff94.sdf39 M CHG 1 10 -1
40 M CHG 1 11 1
41 M CHG 1 13 -1
93 M CHG 1 8 1
94 M CHG 1 11 -1
263 M CHG 1 4 -1
264 M CHG 1 5 1
359 M CHG 1 4 -1
360 M CHG 1 11 1
386 M CHG 1 1 -1
[all …]
H A DimplicitH.sdf256 M CHG 2 1 1 2 -1
442 M CHG 2 6 1 7 -1
648 M CHG 2 12 1 13 -1
840 M CHG 2 8 1 9 -1
1020 M CHG 2 8 1 9 -1
1329 M CHG 2 1 1 2 -1
1414 M CHG 2 1 1 2 -1
1610 M CHG 2 1 1 3 -1
1723 M CHG 1 1 1
1828 M CHG 2 4 1 5 -1
[all …]
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolAlign/test_data/
H A Dref_e2.sdf66 M CHG 1 6 1
136 M CHG 1 6 1
204 M CHG 1 21 1
264 M CHG 1 18 1
330 M CHG 1 17 1
394 M CHG 1 17 1
454 M CHG 1 6 1
528 M CHG 1 6 1
610 M CHG 1 6 1
676 M CHG 1 8 1
[all …]
H A Dprobe_mol.sdf87 M CHG 1 15 1
176 M CHG 1 15 1
265 M CHG 1 15 1
354 M CHG 1 15 1
443 M CHG 1 15 1
532 M CHG 1 15 1
621 M CHG 1 15 1
710 M CHG 1 15 1
799 M CHG 1 15 1
888 M CHG 1 15 1
[all …]
/dports/emulators/mednafen/mednafen/src/ngp/TLCS-900h/
H A DTLCS900h_disassemble_dst.cpp165 static void CHG() in CHG() function
219 /*C*/ CHG, CHG, CHG, CHG, CHG, CHG, CHG, CHG,
/dports/science/cdk/cdk-cdk-2.3/base/testdata/src/test/resources/data/mdl/
H A Dfingerprints_from_modelbuilder3d.sdf221 M CHG 1 3 1
222 M CHG 1 4 -2
223 M CHG 1 5 1
224 M CHG 1 17 1
225 M CHG 1 18 1
374 M CHG 1 9 -2
469 M CHG 1 3 1
470 M CHG 1 8 -2
H A Dreaction_v3.rxn33 M V30 24 O 5.30417 -6.62917 0 0 CHG=-1
38 M V30 29 Fe -3.23333 -5.63333 0 0 CHG=3
40 M V30 31 Fe 5.70417 -4.20417 0 0 CHG=3
41 M V30 32 Fe 5.99167 -3.13333 0 0 CHG=3
99 M V30 7 O 20.0745 -5.88075 0 0 CHG=-1
121 M V30 29 Fe 12.775 -5.4125 0 0 CHG=3
123 M V30 31 Fe 21.7167 -4.42917 0 0 CHG=3
124 M V30 32 Fe 22.0042 -3.35833 0 0 CHG=3
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/pb_s_am/pbam/pbam_test_files/energyforce_test/
H A Denergyforce2.pqr1 ATOM 0 C CHG A0 -9.500 22.900 -8.700 -1.0000 3.7300
2 ATOM 1 C CHG A0 -10.500 23.900 -8.700 -1.0000 6.3200
4 ATOM 3 C CHG A1 0.500 -0.500 -2.500 -1.0000 3.7300
5 ATOM 4 C CHG A1 -0.500 0.500 -2.500 -1.0000 6.3200
/dports/net/kget/kget-21.12.3/
H A DTODO7 CHG - CHanGed
36 CHG <kget> Stop All action doesn't stop the transfers with setted policy at Running
45 CHG <kget> Disable popup notifications when we have the system tray jobs activated
58 CHG <pino> verify that all the settings are respected
73 CHG <dario> usability enhancements as in #79519, #89379, #111407
103 CHG <dario, eros> decoupling between gui and transfer operations.
105 CHG <dario> Transfer object rewrite to make it easily inherited from
108 CHG <dario> Scheduler logic enhancement (there are still lots of things to do)
111 CHG <eros> Move all the configuration framework to KConfigXT
118 CHG <dario> finish to implement transferKio adding, for example, setDelay.
[all …]
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Descriptors/test_data/
H A Dbace_200_bcut.sdf199 M CHG 1 40 1
318 M CHG 1 25 1
431 M CHG 1 28 1
554 M CHG 1 25 1
665 M CHG 1 27 1
788 M CHG 1 27 1
895 M CHG 1 9 1
1013 M CHG 1 11 1
1129 M CHG 1 24 1
1249 M CHG 1 33 1
[all …]
/dports/devel/tinygo/tinygo-0.14.1/lib/nrfx/hal/
H A Dnrf_ppi.h447 NRF_PPI->CHG[(uint32_t) channel_group] = in nrf_ppi_channel_include_in_group()
448 NRF_PPI->CHG[(uint32_t) channel_group] | (PPI_CHG_CH0_Included << ((uint32_t) channel)); in nrf_ppi_channel_include_in_group()
454 NRF_PPI->CHG[(uint32_t) channel_group] = in nrf_ppi_channels_include_in_group()
455 NRF_PPI->CHG[(uint32_t) channel_group] | (channel_mask); in nrf_ppi_channels_include_in_group()
461 NRF_PPI->CHG[(uint32_t) channel_group] = in nrf_ppi_channel_remove_from_group()
462 NRF_PPI->CHG[(uint32_t) channel_group] & ~(PPI_CHG_CH0_Included << ((uint32_t) channel)); in nrf_ppi_channel_remove_from_group()
468 NRF_PPI->CHG[(uint32_t) channel_group] = in nrf_ppi_channels_remove_from_group()
469 NRF_PPI->CHG[(uint32_t) channel_group] & ~(channel_mask); in nrf_ppi_channels_remove_from_group()
474 NRF_PPI->CHG[(uint32_t) group] = 0; in nrf_ppi_channel_group_clear()
/dports/cad/verilator/verilator-4.216/include/
H A Dverilated_trace.h355 #define CHG(name) chg##name##Impl macro
357 #define CHG(name) chg##name macro
365 inline void CHG(Bit)(vluint32_t* oldp, CData newval) { in CHG() function
369 inline void CHG(CData)(vluint32_t* oldp, CData newval, int bits) { in CHG() function
373 inline void CHG(SData)(vluint32_t* oldp, SData newval, int bits) { in CHG() function
377 inline void CHG(IData)(vluint32_t* oldp, IData newval, int bits) { in CHG() function
381 inline void CHG(QData)(vluint32_t* oldp, QData newval, int bits) { in CHG() function
385 inline void CHG(WData)(vluint32_t* oldp, const WData* newvalp, int bits) { in CHG() function
393 inline void CHG(Double)(vluint32_t* oldp, double newval) { in CHG() function
398 #undef CHG

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