/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/regtest-4/ |
H A D | TEST_FILES_RESET | 41 nh3-restraint-fixd.inp 69 nh3_wat-restraint-fixd-4.inp 102 nh3-restraint-fixd.inp 268 nh3_wat-restraint-fixd-3.inp 269 nh3_wat-restraint-fixd-4.inp 286 nh3-restraint-fixd.inp 329 nh3-restraint-fixd-2.inp 331 nh3_wat-restraint-fixd-3.inp 333 nh3_wat-restraint-fixd-4.inp 346 nh3-restraint-fixd-2.inp [all …]
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H A D | nh3_wat-restraint-fixd-4.inp | 1 #CPQA DEPENDS nh3_wat-restraint-fixd-3.inp 49 PROJECT nh3_wat-restraint-fixd 80 RESTART_FILE_NAME nh3_wat-restraint-fixd-1.restart
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H A D | TEST_FILES | 31 nh3-restraint-fixd.inp 2 1.0E-14 0.276479131856E-02 53 nh3-restraint-fixd-2.inp 7 1.0E-14 0.0010863072 55 nh3_wat-restraint-fixd-3.inp 7 1.0E-14 -0.0061030813 56 nh3_wat-restraint-fixd-4.inp 7 1.0E-14 -0.0061030820
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H A D | nh3-restraint-fixd-2.inp | 38 PROJECT nh3-restraint-fixd-2
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/dports/games/open-adventure/open-adventure-f2f238e9e42ed76f9cfac219f37142cd7bcf6edb/ |
H A D | init.c | 75 if (objects[i].fixd > 0) { in initialise() 76 drop(i + NOBJECTS, objects[i].fixd); in initialise() 83 game.fixed[k] = objects[k].fixd; in initialise() 84 if (objects[k].plac != 0 && objects[k].fixd <= 0) in initialise()
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/regtest-12/ |
H A D | H2O-fixd-rest-2.inp | 1 #CPQA DEPENDS H2O-fixd-rest.inp 38 PROJECT H2O-fixd-rest-2 58 RESTART_FILE_NAME H2O-fixd-rest-1.restart
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H A D | TEST_FILES | 12 H2O-fixd-rest.inp 2 1.0E-14 0.270339895452E-02 13 H2O-fixd-rest-2.inp 2 1.0E-14 0.113616767819E-02
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H A D | H2O-fixd-rest.inp | 37 PROJECT H2O-fixd-rest
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/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/regtest-12/ |
H A D | H2O-fixd-rest-2.inp | 1 #CPQA DEPENDS H2O-fixd-rest.inp 38 PROJECT H2O-fixd-rest-2 58 RESTART_FILE_NAME H2O-fixd-rest-1.restart
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H A D | TEST_FILES_RESET | 20 H2O-fixd-rest-2.inp 21 H2O-fixd-rest.inp 131 H2O-fixd-rest.inp 132 H2O-fixd-rest-2.inp
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H A D | TEST_FILES | 12 H2O-fixd-rest.inp 2 1.0E-14 0.270339895452E-02 13 H2O-fixd-rest-2.inp 2 1.0E-14 0.113616767819E-02
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H A D | H2O-fixd-rest.inp | 37 PROJECT H2O-fixd-rest
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | constraint_fxd.F | 160 iparticle = fixd_list(ii)%fixd 281 IF (fixd_list(i)%fixd == index_a) THEN 288 IF (fixd_list(i)%fixd == index_b) THEN 295 IF (fixd_list(i)%fixd == index_c) THEN 343 IF (fixd_list(i)%fixd == index_a) THEN 350 IF (fixd_list(i)%fixd == index_b) THEN 357 IF (fixd_list(i)%fixd == index_c) THEN 364 IF (fixd_list(i)%fixd == index_d) THEN 399 IF (fixd_list(k)%fixd == j) THEN 464 fixed_atom_all(nsize) = fixd_list(i)%fixd
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H A D | restraint.F | 127 iparticle = fixd_list(ii)%fixd 482 IF (ANY(fixd_list(:)%fixd == index_a)) force(:, index_a) = 0.0_dp 483 IF (ANY(fixd_list(:)%fixd == index_b)) force(:, index_b) = 0.0_dp 484 IF (ANY(fixd_list(:)%fixd == index_c)) force(:, index_c) = 0.0_dp 560 IF (ANY(fixd_list(:)%fixd == index_a)) force(:, index_a) = 0.0_dp 561 IF (ANY(fixd_list(:)%fixd == index_b)) force(:, index_b) = 0.0_dp 562 IF (ANY(fixd_list(:)%fixd == index_c)) force(:, index_c) = 0.0_dp 563 IF (ANY(fixd_list(:)%fixd == index_d)) force(:, index_d) = 0.0_dp
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | constraint_fxd.F | 160 iparticle = fixd_list(ii)%fixd 281 IF (fixd_list(i)%fixd == index_a) THEN 288 IF (fixd_list(i)%fixd == index_b) THEN 295 IF (fixd_list(i)%fixd == index_c) THEN 343 IF (fixd_list(i)%fixd == index_a) THEN 350 IF (fixd_list(i)%fixd == index_b) THEN 357 IF (fixd_list(i)%fixd == index_c) THEN 364 IF (fixd_list(i)%fixd == index_d) THEN 399 IF (fixd_list(k)%fixd == j) THEN 464 fixed_atom_all(nsize) = fixd_list(i)%fixd
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H A D | restraint.F | 127 iparticle = fixd_list(ii)%fixd 482 IF (ANY(fixd_list(:)%fixd == index_a)) force(:, index_a) = 0.0_dp 483 IF (ANY(fixd_list(:)%fixd == index_b)) force(:, index_b) = 0.0_dp 484 IF (ANY(fixd_list(:)%fixd == index_c)) force(:, index_c) = 0.0_dp 560 IF (ANY(fixd_list(:)%fixd == index_a)) force(:, index_a) = 0.0_dp 561 IF (ANY(fixd_list(:)%fixd == index_b)) force(:, index_b) = 0.0_dp 562 IF (ANY(fixd_list(:)%fixd == index_c)) force(:, index_c) = 0.0_dp 563 IF (ANY(fixd_list(:)%fixd == index_d)) force(:, index_d) = 0.0_dp
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/regtest-4/ |
H A D | nh3_wat-restraint-fixd-4.inp | 1 #CPQA DEPENDS nh3_wat-restraint-fixd-3.inp 49 PROJECT nh3_wat-restraint-fixd 80 RESTART_FILE_NAME nh3_wat-restraint-fixd-1.restart
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H A D | TEST_FILES | 31 nh3-restraint-fixd.inp 2 1.0E-14 0.276479131856E-02 53 nh3-restraint-fixd-2.inp 7 1.0E-14 0.0010863072 55 nh3_wat-restraint-fixd-3.inp 7 1.0E-14 -0.0061030813 56 nh3_wat-restraint-fixd-4.inp 7 1.0E-14 -0.0061030820
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H A D | nh3-restraint-fixd-2.inp | 38 PROJECT nh3-restraint-fixd-2
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/regtest-7-2/ |
H A D | TEST_FILES | 65 UO2-4x4x4-fixd.inp 11 9e-14 -619.588154772236749 66 UO2-4x4x4-cs-fixd.inp 43 1.0E-14 0.008410 67 UO2-4x4x4-cs-fixd-restart.inp 44 1.0E-14 0.017655 68 UO2-4x4x4-cs-fixd-nvt.inp 54 1.0E-14 0.041076 69 UO2-4x4x4-cs-fixd-npt.inp 54 1.0E-14 0.045987
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/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/regtest-7-2/ |
H A D | TEST_FILES | 65 UO2-4x4x4-fixd.inp 11 9e-14 -619.588154772236749 66 UO2-4x4x4-cs-fixd.inp 43 1.0E-14 0.008410 67 UO2-4x4x4-cs-fixd-restart.inp 44 1.0E-14 0.017655 68 UO2-4x4x4-cs-fixd-nvt.inp 54 1.0E-14 0.041076 69 UO2-4x4x4-cs-fixd-npt.inp 54 1.0E-14 0.045987
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/dports/lang/sdcc/sdcc-4.0.0/device/lib/pic16/libsdcc/fixed16x16/ |
H A D | fps16x162sfloat.c | 29 float __fps16x162sfloat(__fixed16x16 fixd) in __fps16x162sfloat() argument 37 u.fix = fixd; in __fps16x162sfloat()
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/dports/science/py-ase/ase-3.22.0/ase/test/forcefields/ |
H A D | test_rattle_linear.py | 36 fixd = FixLinearTriatomic(triples=[(0, 1, 2), (3, 4, 5)]) 38 dimer.set_constraint(fixd)
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H A D | test_qmmm_acn.py | 43 fixd = FixLinearTriatomic(triples=[(0, 1, 2), (3, 4, 5)]) 45 dimer.set_constraint(fixd)
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/dports/audio/rsynth/rsynth-2.0/ |
H A D | elements.h | 5 float fixd; member
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