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/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/regtest-4/
H A DTEST_FILES_RESET41 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 …]
H A Dnh3_wat-restraint-fixd-4.inp1 #CPQA DEPENDS nh3_wat-restraint-fixd-3.inp
49 PROJECT nh3_wat-restraint-fixd
80 RESTART_FILE_NAME nh3_wat-restraint-fixd-1.restart
H A DTEST_FILES31 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
H A Dnh3-restraint-fixd-2.inp38 PROJECT nh3-restraint-fixd-2
/dports/games/open-adventure/open-adventure-f2f238e9e42ed76f9cfac219f37142cd7bcf6edb/
H A Dinit.c75 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()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/regtest-12/
H A DH2O-fixd-rest-2.inp1 #CPQA DEPENDS H2O-fixd-rest.inp
38 PROJECT H2O-fixd-rest-2
58 RESTART_FILE_NAME H2O-fixd-rest-1.restart
H A DTEST_FILES12 H2O-fixd-rest.inp 2 1.0E-14 0.270339895452E-02
13 H2O-fixd-rest-2.inp 2 1.0E-14 0.113616767819E-02
H A DH2O-fixd-rest.inp37 PROJECT H2O-fixd-rest
/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/regtest-12/
H A DH2O-fixd-rest-2.inp1 #CPQA DEPENDS H2O-fixd-rest.inp
38 PROJECT H2O-fixd-rest-2
58 RESTART_FILE_NAME H2O-fixd-rest-1.restart
H A DTEST_FILES_RESET20 H2O-fixd-rest-2.inp
21 H2O-fixd-rest.inp
131 H2O-fixd-rest.inp
132 H2O-fixd-rest-2.inp
H A DTEST_FILES12 H2O-fixd-rest.inp 2 1.0E-14 0.270339895452E-02
13 H2O-fixd-rest-2.inp 2 1.0E-14 0.113616767819E-02
H A DH2O-fixd-rest.inp37 PROJECT H2O-fixd-rest
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dconstraint_fxd.F160 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
H A Drestraint.F127 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
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dconstraint_fxd.F160 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
H A Drestraint.F127 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
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/regtest-4/
H A Dnh3_wat-restraint-fixd-4.inp1 #CPQA DEPENDS nh3_wat-restraint-fixd-3.inp
49 PROJECT nh3_wat-restraint-fixd
80 RESTART_FILE_NAME nh3_wat-restraint-fixd-1.restart
H A DTEST_FILES31 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
H A Dnh3-restraint-fixd-2.inp38 PROJECT nh3-restraint-fixd-2
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/regtest-7-2/
H A DTEST_FILES65 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
/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/regtest-7-2/
H A DTEST_FILES65 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
/dports/lang/sdcc/sdcc-4.0.0/device/lib/pic16/libsdcc/fixed16x16/
H A Dfps16x162sfloat.c29 float __fps16x162sfloat(__fixed16x16 fixd) in __fps16x162sfloat() argument
37 u.fix = fixd; in __fps16x162sfloat()
/dports/science/py-ase/ase-3.22.0/ase/test/forcefields/
H A Dtest_rattle_linear.py36 fixd = FixLinearTriatomic(triples=[(0, 1, 2), (3, 4, 5)])
38 dimer.set_constraint(fixd)
H A Dtest_qmmm_acn.py43 fixd = FixLinearTriatomic(triples=[(0, 1, 2), (3, 4, 5)])
45 dimer.set_constraint(fixd)
/dports/audio/rsynth/rsynth-2.0/
H A Delements.h5 float fixd; member

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