/dports/biology/molden/molden5.8/test/ |
H A D | gamess_us.irc | 11 MASS-WEIGHTED GRADIENT - ORIG.NORM= 1.613326E-03 (HARTREE/BOHR-SQRT(AMU)) 29 MASS-WEIGHTED GRADIENT - ORIG.NORM= 3.218426E-03 (HARTREE/BOHR-SQRT(AMU)) 47 MASS-WEIGHTED GRADIENT - ORIG.NORM= 4.813402E-03 (HARTREE/BOHR-SQRT(AMU)) 65 MASS-WEIGHTED GRADIENT - ORIG.NORM= 6.392263E-03 (HARTREE/BOHR-SQRT(AMU)) 83 MASS-WEIGHTED GRADIENT - ORIG.NORM= 7.949842E-03 (HARTREE/BOHR-SQRT(AMU)) 101 MASS-WEIGHTED GRADIENT - ORIG.NORM= 9.477239E-03 (HARTREE/BOHR-SQRT(AMU)) 119 MASS-WEIGHTED GRADIENT - ORIG.NORM= 1.096700E-02 (HARTREE/BOHR-SQRT(AMU)) 137 MASS-WEIGHTED GRADIENT - ORIG.NORM= 1.241814E-02 (HARTREE/BOHR-SQRT(AMU)) 155 MASS-WEIGHTED GRADIENT - ORIG.NORM= 1.384615E-02 (HARTREE/BOHR-SQRT(AMU)) 173 MASS-WEIGHTED GRADIENT - ORIG.NORM= 1.529733E-02 (HARTREE/BOHR-SQRT(AMU)) [all …]
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H A D | mopac.freq | 886 MASS-WEIGHTED COORDINATE ANALYSIS 1250 RED. MASS 0.8385 C 4 -- C 7 10.5% 0.2% 1257 RED. MASS 0.8227 C 2 -- C 4 6.7% 97.9% 1263 RED. MASS 1.1748 C 2 -- C 6 6.9% 4.6% 1269 RED. MASS 1.3063 C 3 -- H10 15.7% 94.0% 1275 RED. MASS 1.3636 C 4 -- C 5 9.4% 3.5% 1281 RED. MASS 1.9620 C 1 -- C 2 7.8% 6.4% 1287 RED. MASS 1.2703 C 1 -- C 5 9.0% 0.0% 1293 RED. MASS 0.2075 C 7 -- H16 16.9% 6.9% 1299 RED. MASS 0.3946 C 6 -- H15 7.1% 2.3% [all …]
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/dports/science/dakota/dakota-6.13.0-release-public.src-UI/examples/script_interfaces/Rsmas/ |
H A D | rsmas.out | 35 7. 18. CRITICAL COMPACT MASS, Kg 37 9. 1. CRITICAL MASS CORRECTION FACT 120 MASS FLOW RATE-Kg/s = 7.35160398 133 BURNUP MASS-Kg = 18.7673969 134 INITIAL CRITICAL MASS-Kg = 243.608627 135 END CRITICAL MASS-Kg = 247.89563 136 TOTAL BRNUP+CRIT MASS-Kg = 266.663025 138 MASS FOR SPECIFIC POWER LIM-Kg = 143.897842 139 MASS FOR ALLOWED BURNUP-Kg = 267.520447 144 PRESSURE VESSEL MASS-Kg = 3520.4021 [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/tools/ch2lmp/example/ |
H A D | top_all27_na.rtf | 32 MASS 1 HT 1.008000 H ! TIPS3P WATER HYDROGEN 38 MASS 7 HNP 1.008000 H ! pure aromatic H 62 MASS 35 CN7C 12.011000 C ! C2' in arabinose 98 MASS 81 FNA 18.998400 F ! Aromatic fluorine 99 MASS 82 P 30.974000 P ! phosphorus 102 MASS 90 SOD 22.989770 NA ! Sodium Ion 103 MASS 91 MG 24.305000 MG ! Magnesium Ion 105 MASS 93 CES 132.900000 CS ! Cesium Ion 106 MASS 94 CAL 40.080000 CA ! Calcium Ion 107 MASS 95 CLA 35.450000 CL ! Chloride Ion [all …]
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/dports/mail/spamassassin-devel/spamassassin-1ea352210/contrib/ |
H A D | run-masses | 85 MASS=$DIR/masses 95 rm -rf $MASS/tmp 98 PROCS=`$MASS/cpucount` 101 $MASS/mass-check --progress -c $RULES -j $PROCS $DEFOPTS "$@" $TARGETS 105 $MASS/hit-frequencies -c $RULES -x -p -a > results.log
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/dports/science/opensph/sph-7de6c044339f649e3d19e61f735a6a24572b792a/core/quantities/test/ |
H A D | Particle.cpp | 10 storage.getValue<Float>(QuantityId::MASS)[4] = 5._f; variable 16 REQUIRE(p.getValue(QuantityId::MASS) == 5._f); 24 Particle p(QuantityId::MASS, Vector(4._f), 3); 26 REQUIRE(p.getValue(QuantityId::MASS) == Vector(4._f)); 27 REQUIRE(p.getDt(QuantityId::MASS).empty()); 45 p.addValue(QuantityId::MASS, 5._f); 54 REQUIRE(data.id == QuantityId::MASS);
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/dports/science/elmerfem/elmerfem-release-9.0/fem/tests/StokesPFEM/ |
H A D | Stokes.f90 | 59 FORCE(:), rho(:), mu(:), Velocity(:,:), MASS(:,:) local 61 SAVE STIFF, MASS, LOAD, FORCE, rho, mu, Velocity, AllocationsDone 71 ALLOCATE( FORCE(n), LOAD(n,4), STIFF(n,n), MASS(n,n), & 117 CALL LocalMatrix( MASS, STIFF, FORCE, LOAD, rho, mu, & 122 CALL Default1stOrderTime( MASS, STIFF, FORCE ) 141 SUBROUTINE LocalMatrix( MASS, STIFF, FORCE, LOAD, Nodalrho, & 144 REAL(KIND=dp), TARGET :: MASS(:,:), STIFF(:,:), FORCE(:), LOAD(:,:) local 163 MASS = 0.0d0 201 M => MASS(i:i+dim,j:j+dim) 230 MASS(:,i) = 0.0d0 [all …]
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/dports/science/elmerfem/elmerfem-release-9.0/fem/examples/turing/ |
H A D | Turing.f90 | 42 REAL(KIND=dp), ALLOCATABLE :: STIFF(:,:), LOAD(:), FORCE(:), MASS(:,:) local 47 SAVE MASS, STIFF, LOAD, FORCE, AllocationsDone, CoeffA, CoeffB, CoeffC, CoeffG, & 55 ALLOCATE( FORCE(N), LOAD(N), STIFF(N,N), MASS(N,N), STAT=istat ) 93 CALL LocalMatrix( MASS, STIFF, FORCE, LOAD, Element, n, nd ) 95 IF ( TransientSimulation ) CALL Default1stOrderTime( MASS, STIFF, FORCE ) 109 SUBROUTINE LocalMatrix( MASS, STIFF, FORCE, LOAD, Element, n, nd ) 111 REAL(KIND=dp), TARGET :: MASS(:,:), STIFF(:,:), FORCE(:), LOAD(:) local 129 MASS = 0.0d0 161 M => MASS(i:i+1, j:j+1)
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/dports/math/R-cran-lme4/lme4/man/ |
H A D | glmer.nb.Rd | 9 \code{\link[MASS]{theta.ml}} from \pkg{MASS}. 34 \code{\link[MASS]{theta.ml}} (package \CRANpkg{MASS}) for the initial 57 \code{glmer} with the \code{\link[MASS]{negative.binomial}} family from the 58 \code{MASS} package, e.g. 59 \code{glmer(...,family=MASS::negative.binomial(theta=1.75))}. 63 \code{\link{glmer}}; from package \CRANpkg{MASS}, 64 \code{\link[MASS]{negative.binomial}} (which we re-export currently) and 65 \code{\link[MASS]{theta.ml}}, the latter for initialization of 79 require("MASS")## and use its glm.nb() - as indeed we have zero random effect:
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/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/CHARMM/examples/RAS-RAF/data/ |
H A D | top_all27_prot_na.rtf | 51 MASS 1 H 1.00800 H ! polar H 52 MASS 2 HC 1.00800 H ! N-ter H 53 MASS 3 HA 1.00800 H ! nonpolar H 55 MASS 5 HP 1.00800 H ! aromatic H 56 MASS 6 HB 1.00800 H ! backbone H 58 MASS 8 HR2 1.00800 H ! (+) his HE1 69 MASS 21 CA 12.01100 C ! aromatic C 98 MASS 50 N 14.00700 N ! proline N 119 MASS 81 S 32.06000 S ! sulphur 122 MASS 85 HE 4.00260 HE ! helium [all …]
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/dports/devel/R-cran-sfsmisc/sfsmisc/man/ |
H A D | f.robftest.Rd | 6 of an \code{\link[MASS]{rlm}} object. 12 \item{object}{result of \code{\link[MASS]{rlm}()}.} 17 This builds heavily on \code{\link[MASS]{summary.rlm}()}, the 18 \code{\link{summary}} method for \code{\link[MASS]{rlm}} results. 34 \seealso{\code{\link[MASS]{rlm}}, \code{\link{summary.aov}}, etc.} 36 if(require("MASS")) {
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/dports/graphics/dataplot/dataplot-2c1b27601a3b7523449de612613eadeead9a8f70/lib/programs/ |
H A D | SPRINGS.DP | 17 . SPRING 1, MASS 1, SPRING 2, MASS 2, SPRING 3 21 . MASS 1 M1 = 1 22 . MASS 2 M1 = 4 24 . NOTE--TO SET UP THE 2 EQUATIONS OF MASS 33 . LET Y1 = DISPLACEMENT OF MASS 1 FROM ITS EQUILIBRIUM POSITION 34 . LET Y2 = DISPLACEMENT OF MASS 2 FROM ITS EQUILIBRIUM POSITION
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/dports/science/elmerfem/elmerfem-release-9.0/fem/src/modules/ |
H A D | ViscousCompressibility.F90 | 66 cvelo(:,:),pvelo(:,:), ppres(:,:), MASS(:,:) local 73 SAVE MASS, STIFF, LOAD, FORCE, AllocationsDone, CVelo,PVelo, ppres, indexes, & 93 ALLOCATE( MASS(n,n), FORCE(N), STIFF(N,N), CVelo(dim,N), & 129 CALL LocalMatrix( MASS, STIFF, FORCE, CVelo, & 161 SUBROUTINE LocalMatrix( MASS, STIFF, FORCE, NodalVelo, Element, n, nd, ntot, dim ) 163 REAL(KIND=dp), TARGET :: MASS(:,:), STIFF(:,:), FORCE(:) local 183 MASS = 0.0d0
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H A D | EMWaveSolver.F90 | 231 SAVE STIFF, DAMP, MASS, FORCE, AllocationsDone 326 CALL LocalMatrix( MASS, DAMP, STIFF, FORCE, & 376 CALL LocalMatrixBC(MASS,DAMP,STIFF,FORCE,& 432 MASS = 0.0_dp 466 MASS(i,j) = MASS(i,j) + & 526 MASS = 0.0_dp 866 ALLOCATE( MASS(n,n), FORCE(n,dofs), Pivot(n) ) 891 CALL LUdecomp(MASS,n,pivot) 986 MASS = 0._dp 1016 MASS(p,q)=MASS(p,q)+s*Basis(p)*Basis(q) [all …]
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H A D | WaveSolver.F90 | 168 REAL(KIND=dp) :: MASS(nd,nd), STIFF(nd,nd), FORCE(nd), DAMP(nd,nd) local 185 MASS = 0._dp 233 MASS(p,q) = MASS(p,q) + Weight * & 244 CALL Default2ndOrderTime( MASS, DAMP, STIFF, FORCE ) 246 CALL DefaultUpdateMass( MASS ) 271 REAL(KIND=dp) :: STIFF(nd,nd), FORCE(nd), DAMP(nd,nd), MASS(nd,nd) local 298 MASS = 0._dp 328 CALL Default2ndOrderTime( MASS, DAMP, STIFF, FORCE )
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H A D | StatCurrentSolveVec.F90 | 350 MASS(nd,nd), STIFF(nd,nd), FORCE(nd), STAT=allocstat) 360 MASS = 0._dp 386 MASS(1:nd,1:nd) = Eps0 * MASS(1:nd,1:nd) 451 MASS(m,m), STIFF(m,m), FORCE(m), STAT=allocstat) 461 MASS = 0._dp 506 MASS(1:nd,1:nd) = MASS(1:nd,1:nd) + Weight * & 748 CALL LocalPostSolve( Element, n, MASS, FORCE ) 793 REAL(KIND=dp) :: MASS(:,:), FORCE(:,:) local 835 MASS = 0._dp 853 MASS(i,j) = MASS(i,j) + Weight * Basis(i) * Basis(j) [all …]
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/dports/devel/R-cran-broom/broom/man/ |
H A D | glance.ridgelm.Rd | 10 \item{x}{A \code{ridgelm} object returned from \code{\link[MASS:lm.ridge]{MASS::lm.ridge()}}.} 48 if (requireNamespace("MASS", quietly = TRUE)) { 52 fit1 <- MASS::lm.ridge(y ~ ., longley) 55 fit2 <- MASS::lm.ridge(y ~ ., longley, lambda = seq(0.001, .05, .001)) 77 …{\link[=glance]{glance()}}, \code{\link[MASS:lm.ridge]{MASS::select.ridgelm()}}, \code{\link[MASS:…
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H A D | tidy.ridgelm.Rd | 11 \item{x}{A \code{ridgelm} object returned from \code{\link[MASS:lm.ridge]{MASS::lm.ridge()}}.} 33 if (requireNamespace("MASS", quietly = TRUE)) { 37 fit1 <- MASS::lm.ridge(y ~ ., longley) 40 fit2 <- MASS::lm.ridge(y ~ ., longley, lambda = seq(0.001, .05, .001)) 62 \code{\link[=tidy]{tidy()}}, \code{\link[MASS:lm.ridge]{MASS::lm.ridge()}}
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H A D | tidy.fitdistr.Rd | 11 \item{x}{A \code{fitdistr} object returned by \code{\link[MASS:fitdistr]{MASS::fitdistr()}}.} 33 if (requireNamespace("MASS", quietly = TRUE)) { 38 library(MASS) 48 \code{\link[=tidy]{tidy()}}, \code{\link[MASS:fitdistr]{MASS::fitdistr()}}
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/dports/science/latte/LATTE-1.2.2/src/ |
H A D | nvtrescale.F90 | 56 PREFACTOR = PREPREFACT/MASS(ELEMPOINTER(I)) 86 PREFACTOR = PREPREFACT/MASS(ELEMPOINTER(I)) 99 MOMENTUM(1) = MOMENTUM(1) + V(1,I)*MASS(ELEMPOINTER(I)) 100 MOMENTUM(2) = MOMENTUM(2) + V(2,I)*MASS(ELEMPOINTER(I)) 101 MOMENTUM(3) = MOMENTUM(3) + V(3,I)*MASS(ELEMPOINTER(I))
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/dports/math/R-cran-lme4/lme4/tests/testthat/ |
H A D | test-nbinom.R | 49 m.numth1 <- update(m.base,family=MASS::negative.binomial(theta=0.4826813)) 53 m.symth4 <- update(m.base,family=MASS::negative.binomial(theta=c(th))) 57 m.symth6 <- update(m.base,family=MASS::negative.binomial(theta=th3)) 61 m.symth <- update(m.base,family=MASS::negative.binomial(theta=th)) 65 m.symth2 <- update(m.base,family=MASS::negative.binomial(theta=th0)) 69 m.symth3 <- update(m.base,family=MASS::negative.binomial(theta=th1)) 73 m.symth5 <- update(m.base,family=MASS::negative.binomial(theta=th2))
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/dports/devel/py-cclib/cclib-1.7.1/data/MOPAC/ |
H A D | h2o-force.out | 205 MASS(I) 0.54639 0.51928 0.48972 12.62554 12.62554 12.62554 217 MASS(I) 0.59781 0.50396 0.48954 246 MASS-WEIGHTED COORDINATE ANALYSIS (NORMAL COORDINATES) 273 RED. MASS 0.5464 274 EFF. MASS 1.6945 280 RED. MASS 0.5193 281 EFF. MASS 1.5000 287 RED. MASS 0.4897 288 EFF. MASS 1.1499
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/dports/science/elmerfem/elmerfem-release-9.0/fem/tests/Q1Q0/ |
H A D | Q1Q0.f90 | 43 FORCE(:), rho(:), mu(:), Velocity(:,:), MASS(:,:) local 58 ALLOCATE( FORCE(n), LOAD(n,4), STIFF(n,n), MASS(n,n), & 113 CALL LocalMatrix( MASS, STIFF, FORCE, LOAD, rho, mu, & 117 CALL Default1stOrderTime( MASS, STIFF, FORCE ) 177 SUBROUTINE LocalMatrix( MASS, STIFF, FORCE, LOAD, Nodalrho, & 180 REAL(KIND=dp), TARGET :: MASS(:,:), STIFF(:,:), FORCE(:), LOAD(:,:) local 199 MASS = 0.0d0 238 M => MASS(i+1:i+dim,j+1:j+dim) 270 MASS(:,i) = 0.0d0 271 MASS(i,:) = 0.0d0
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/dports/math/R-cran-robustbase/robustbase/man/ |
H A D | Animals2.Rd | 8 Note that this is simply the union of \code{\link[MASS]{Animals}} 9 and \code{\link[MASS]{mammals}}. 35 After loading the \CRANpkg{MASS} package, the data set is simply constructed by 40 \CRANpkg{MASS}'s \code{Animals} (with Rat and Brachiosaurus interchanged, 53 abline(MASS::rlm(log(brain) ~ log(body), data = bbdat), col = 2) 59 data(Animals, package = "MASS")
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/dports/biology/mopac/mopac7-1.15/fortran/ |
H A D | axis.f | 1 SUBROUTINE AXIS(COORD,NUMAT,A,B,C,SUMW, MASS,EVEC) argument 53 IF(MASS.GT.0) THEN 69 IF(MASS.GT.0.AND.FIRST) 93 IF(MASS.GT.0) THEN 114 IF(MASS.GT.0.AND. FIRST.AND.INDEX(KEYWRD,'RC=').EQ.0) THEN 153 IF(MASS.GT.0)FIRST=.FALSE.
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