index

一个有用的分子动力学小辅助程序

file	toms/642
key	smoothing, minimum cross-validation, splines
gams	K5,L8g
name	CUBGCV
for	O(n) computation of a cubic smoothing spline fitted to n noisy data points
#	Degree of smoothing is chosen to
#	minimize the expected mean square error at the data points for known
#	variance, or the generalized cross validation otherwise. Data may be
#	unequally spaced and nonuniformly weighted. Computes Bayesian point
#	error estimates
by	M.F. Hutchinson
ref	ACM TOMS 12 (1986) 150-153

file	toms/643
key	unordered rxc contingency tables, Fisher's exact test
gams	L9b
name	FEXACT
for	Fisher's exact test on unordered r-by-c contingency tables
by	C.R. Mehta and N.R. Patel
ref	ACM TOMS 12 (1986) 154-161

file	toms/644
key	Bessel function, complex argument, nonnegative order
gams	C10a4,C10b4,C10d
for	Bessel functions of a complex argument and nonnegative order
#	H1, H2, I, J, K, and Y, as well as the Airy functions Ai, Bi, and their
#	derivatives are provided in both single and double precision.
#	Exponential scaling and sequence generation are optional
by	D.E. Amos
ref	ACM TOMS 12 (1986) 265-273

file	toms/645
key	compute generalized inverse of matrix, test programs
gams	D9c
name	testing programs that compute the generalized inverse of a matrix
by	J.C. Nash and R.L.C. Wang
ref	ACM TOMS 12 (1986) 274-277

file	toms/646
key	find positive definite linear combination, 2 real symmetric matrices
gams	D4b1,D4c1c
name	PDFIND
for	positive definite linear combination of two real symmetric matrices
#	may be used to solve the generalized eigenproblem Ax = (lambda)Bx in
#	case A and B are large and sparse, but neither is positive definite
by	C.R. Crawford
ref	ACM TOMS 12 (1986) 278-282

file	toms/647
key	quasirandom sequence generators
gams	H2c,L6b21
name	generation of sequences of quasirandom vectors with low discrepancy
#	Such sequences may be used to reduce
#	error bounds for multidimensional integration and global optimization.
by	B.L. Fox
ref	ACM TOMS 12 (1986) 362-376

file	toms/648
gams	I1c
name	NSDTST and STDTST
for	assessing the performance of initial value solvers for stiff or nonstiff systems
by	W. H. Enright and J. D. Pryce
ref	ACM TOMS 13 (1987) 28-34

file	toms/649
gams	J1a3
name	FOURCO
for	trigonometric Fourier coefficients of a smooth function
alg	Lyness's algorithm
by	G. Giunta and A. Murli
ref	ACM TOMS 13 (1987) 97-107

file	toms/650
gams	C2
lang	Motorola 68000 assembler
for	efficient square root implementation
by	K. C. Johnson
ref	ACM TOMS 13 (1987) 138-151

file	toms/651
gams	I2b1a1a
name	HFFT
for	Helmholtz equation on bounded two- or three-dimensional rectangular domains
by	R. F. Boisvert
ref	ACM TOMS 13 (1987) 235-249

file	toms/652
gams	F2
name	HOMPACK
for	globally convergent homotopy algorithms, for finding zeros or fixed points of nonlinear systems of equations.
by	L. T. Watson, S. C. Billups, and A. P. Morgan
ref	ACM TOMS 13 (1987) 281-310

file	toms/653
gams	D1a
name	PC-BLAS
lang	8087 assembler
for	Basic Linear Algebra Subprograms
by	R. J. Hanson and F. T. Krogh
ref	ACM TOMS 13 (1987) 311-317

file	toms/654
gams	C7e
name	GRATIO and GAMINV
for	incomplete gamma function ratios and their inverse
by	A. R. DiDonato and A. H. Morris, Jr.
ref	ACM TOMS 13 (1987) 318-319

file	toms/655
gams	H2c
name	IQPACK
for	stable evaluation of the weights and nodes of interpolatory and Gaussian quadratures with prescribed simple or multiple knots
by	S. Elhay and J. Kautsky
ref	ACM TOMS 13 (1987) 399-415

file	toms/656
gams	D1
for	model implementation and test programs for Level 2 BLAS
by	J. J. Dongarra, J. du Croz, S. Hammarling, and R. J. Hanson
ref	ACM TOMS 14 (1988) 18-32

file	toms/657
gams	Q
name	CON3D
for	plotting contour surfaces of a function of three variables
by	G. Sewell
ref	ACM TOMS 14 (1988) 42-44

file	toms/658
gams	I1a1b,I1a2
name	ODESSA
for	ordinary differential equation solver (a modification of LSODE) with explicit simultaneous sensitivity analysis
by	J. R. Leis and M. A. Kramer
ref	ACM TOMS 14 (1988) 61-67

file	toms/659
gams	G2i,H2c
for	Sobol's quasirandom sequence generator for multivariate quadrature and optimization
by	P. Bratley and B. L. Fox
ref	ACM TOMS 14 (1988) 88-100

file	toms/660
gams	E2b
name	QSHEP2D
for	quadratic Shepard method for bivariate interpolation of scattered data
by	R. J. Renka
ref	ACM TOMS 14 (1988) 149-150

file	toms/661
gams	E2b
name	QSHEP3D
for	quadratic Shepard method for trivariate interpolation of scattered data
by	R. J. Renka
ref	ACM TOMS 14 (1988) 151-152

file	toms/662
gams	J3
name	MODUL1 and MODUL2
for	numerical inversion of the Laplace transform
alg	Weeks' method
by	B. S. Garbow, G. Giunta, and J. N. Lyness
ref	ACM TOMS 14 (1988) 171-176

file	toms/663
gams	D1a
name	CWI BLAS
for	Basic Linear Algebra Subprograms in Fortran 200 for the Cyber 205
by	M. Louter-Nool
ref	ACM TOMS 14 (1988) 177-195

file	toms/664
gams	D2a2
name	GBSOL
for	Gauss algorithm to solve systems with large banded matrices using random-access disk storage
by	G. Schrauf
ref	ACM TOMS 14 (1988) 257-260

file	toms/665
gams	R1
name	MACHAR
for	dynamically determine machine parameters
by	W.J. Cody
ref	ACM TOMS 14 (1988) 303-311

file	toms/666
gams	F2
name	CHABIS
for	locating and evaluating roots of systems of nonlinear equations
alg	characteristic bisection.
by	M.N. Vrahatis
ref	ACM TOMS 15 (1988) 330-336

file	toms/667
gams	G1b1a
name	SIGMA
for	global minimization using a stochastic integration algorithm
by	F. Aluffi-Pentini, V. Parisi, and F. Zirilli
ref	ACM TOMS 14 (1988) 366-380

file	toms/668
gams	L6a8
name	H2PEC
for	generating observations from the hypergeometric distribution
by	V. Kachitvichyanukul and B.W. Schmeiser
ref	ACM TOMS 14 (1988) 397-3986

file	toms/669
gams	I1a1a
name	BRKF45
for	first-order systems of nonstiff initial value problems for ordinary differential equations.
alg	two-step block Runge-Kutta formula of order 6.
by	J.R. Cash
ref	ACM TOMS 15 (1989) 29-30

file	toms/670
gams	I1a1a
for	Runge-Kutta-Nystrom. Two embedded formula pairs are provided, the lower order pair allowing interpolation
by	R.W. Brankin, I. Gladwell, J.R. Dormand, P.J. Prince, and W.L. Seward
ref	ACM TOMS 15 (1989) 31-40

file	toms/671
gams	Q,E2a
name	FARB-E-2D
for	contour lines for values given at rectangular mesh
#	Areas between contour lines may be filled with colors or patterns
alg	nonlinear bicubic Hermite polynomial interpolation
by	A. Preusser
ref	ACM TOMS 15 (1989) 79-89

file	toms/672
gams	H2c
name	EXTEND
for	generating interpolatory quadrature rules of the highest degree of precision with preassigned nodes for general weight functions
by	T.N.L. Patterson
ref	ACM TOMS 15 (1989) 137-143

file	toms/673
gams	N
lang	Pascal
alg	one-pass
for	dynamic Huffman codes (compression)
by	J.S. Vitter
ref	ACM TOMS 15 (1989) 158-167

file	toms/674
gams	D1b2
for	one-norm of a real or complex matrix, condition estimation
#	explicit matrix is not required; instead matrix-vector products are
#	computed by the calling program via a reverse communications
#	interface
by	N.J. Higham
ref	ACM TOMS 14 (1988) 381-396

file	toms/675
gams	L10a2e
for	square root covariance filter and information filter in dense or Hessenberg forms
by	M. Vanbegin, P. Van Doore and M. Verhaegen
ref	ACM TOMS 15 (1989) 243-256

file	toms/676
gams	K1b1a2,L8a4,L8e5
name	ODRPACK
for	weighted orthogonal distance regression
by	P.T. Boggs, J.R. Donaldson, R.H. Byrd, and R.B. Snabel
ref	ACM TOMS 15 (1989) 348-364

file	toms/677
gams	E2b
for	interpolation of rapidly varying function values given at points irregularly distributed in the plane
alg	C1 triangular elements, with needed partial derivatives are estimated using a minimization criterion making use of a tension parameter
by	L.B. Montefusco and G. Casciola
ref	ACM TOMS 15 (1989) 365-374

file	toms/678
gams	L6a2
name	BTPEC
for	sampling from the binomial distribution
by	V. Kachitvichyanukul and B.W. Schmeiser
ref	ACM TOMS 15 (1989) 394-397

file	toms/679
gams	D1b
name	Level 3 BLAS
for	 basic linear algebra 
by	J.J. Dongarra, J. Du Croz, S. Hammarling, and I. Duff
ref	ACM TOMS 16 (1990) 18-28

file	toms/680
gams	C8a
for	complex error function
by	G.P.M. Poppe and C.M.J. Wijers
ref	ACM TOMS 16 (1990) 47

file	toms/681
gams	F2
name	INTBIS
for	real roots of a system of nonlinear equations within a region defined by bounds on the variables
alg	interval Newton/bisection methods
by	R.B. Kearfott and M. Novoa III
ref	ACM TOMS 16 (1990) 152-157

file	toms/681
gams	F2
for	inversion of the Laplace transform
alg	Talbot's method
by	A. Murli and M. Rizzardi
ref	ACM TOMS 16 (1990) 158-168

file	toms/683
gams	C5
for	exponential integrals of a complex argument
by	D.E. Amos
ref	ACM TOMS 16 (1990) 178-182

file	toms/684
gams	E2b
for	C1 and C2 interpolation on triangles with quintic and nonic bivariate polynomials
by	A. Preusser
ref	ACM TOMS 16 (1990) 253-257

file	toms/685
gams	I2b1a1a,I2b1a2
name	SERRG2
for	separable elliptic equations on a rectangle
alg	Rayleigh-Ritz-Galerkin with tensor-product B-splines
by	L. Kaufmann and D. Warner
ref	ACM TOMS 16 (1990) 325-351

file	toms/686
gams	D7c
for	updating the QR decomposition of a matrix.
by	L. Reichel and W.B. Gragg
ref	ACM TOMS 16 (1990) 369-377

file	toms/687
ref	TOMS 17,1
for	decision tree for initial value ode

file	toms/688
ref	TOMS 17,2
for	epdcol: a more efficient pdecol code

file	toms/689
ref	TOMS 17,2
for	nonlinear volterra integral equations of the second kind

file	toms/690
ref	TOMS 17,2
for	chebyshev polynomial software for elliptic-parabolic systems of pdes

file	toms/691
ref	TOMS 17,2
for	improving quadpack automatic integration routines

file	toms/692
ref	TOMS 17,2
for	model implementation and test package for the sparse blas

file	toms/693
ref	TOMS 17,2
for	floating point multiple precision arithmetic

file	toms/694
ref	TOMS 17,3
for	test matrices

file	toms/695
ref	TOMS 17,3
for	modified cholesky factorization

file	toms/696
ref	TOMS 17,3
for	inverse rayleigh iteration for complex band matrices

file	toms/697
ref	TOMS 17,3
for	univariate interpolation

file	toms/698
ref	TOMS 17,4
for	dcuhre - adaptive multidimensional integration for a vector of integrals
by	Berntsen, Espelid, Genz

file	toms/699
ref	TOMS 17,4
new representation of Patterson's quadrature formulae
by	Krogh, Van Snyder

file	toms/700
ref	TOMS 17,4
for	sleign - Fortran package for Sturm-Liouville problems
by	Bailey, Garbow, Kaper, Zetti

file	toms/701
ref	TOMS 17,4
for	goliath - exact analysis of rectangular rank-deficient sparse rational linear systems
by	Alefeld, Eyre

file	toms/702
ref	TOMS 18,1
name	TNPACK
for	large-scale minimization
alg	truncated Newton
by	Schlick, Fogelson

file	toms/703
ref	TOMS 18,2
name	MEBDF
for	stiff ode
by	Cash, Considine

file	toms/704
ref	TOMS 18,2
name	ABDPACK
for	almost block diagonal linear systems in spline collocation
by	Majaess, Keast, Fairweather, Bennett

file	toms/705
ref	TOMS 18,2
for	Sylvester equation AXB + CXD = E
by	Gardiner, Laub, Amato, Moler

file	toms/706
ref	TOMS 18,3
name	DCUTRI
for	two-dimensional integral over triangulated region
by	Berntsen, Espelid

file	toms/707
ref	TOMS 18,3
name	CONHYP
for	confluent hypergeometric function
by	Nardin, Perger, Bhalla

file	toms/708
ref	TOMS 18,3
name	BRATIO
for	incomplete Beta function IX(a,b)
by	Morris

file	toms/709
ref	TOMS 18,4
for	testing algorithm implementations
by	Buckley
size	2.5 megabytes
#	(900kb of which are blank;  ftp the compressed version!)

file	toms/710
ref	TOMS 18,4
for	eigenvalues and eigenvectors of a general matrix
by	Dongarra, Geist, Romine

file	toms/711
ref	TOMS 18,4
name	BTN
for	parallel unconstrained optimization
by	Nash, Sofer

file	toms/712
ref	TOMS 18,4
for	normal random number generator
by	Leva