Program Output

The results from speciation models are relatively simple. A common problem in reaction path models is their voluminous output, often amounting to tens of pages, depending on how many time-steps have been taken and what the print interval is. With so much data, it can be a problem to find exactly what is necessary, especially to get a graphical representation of just those variables which the user is interested. 

TITLE Recreate buffer diagram made with GWB 

The point here is the keyword selected output. The data following this keyword cause a file named buf feri. pun to be created, containing, for each of the 20 steps performed, the pH (-a H+), the Saturation Indices for calcite, gibbsite, amorphous Fe(OH)3, kaolinite, and gypsum (-si calcite. .. ), and the amounts of these phases created or destroyed (-equilibrium phases calcite... ). 

Part of this file looks like this (some columns have been omitted here)  

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Final State Attractor Program Output Theorem... 

Here is the SAS program that creates this survival estimate table, followed by notes for the program and then the program output. 

Figure 12.5. If desired, these small effects can easily be exactly included by letting the simulation program output all the relative energy levels for the experimentally used frequency and for the canonical orientation that corresponds to geff = 10.4, and then using these values in Equation 12.3. The outcome of Equation 12.3 for a given experimental temperature is required for spin counting (determination of the concentration of the S = 7/2 system) using the single-peak integration procedure explained in Section 6.2.

We can compare the Eh measured for the Morro do Ferro groundwater (Table 7.2) with the Nernst Eh values (Eqn. 7.1) given by the reactions for dissolved oxygen and iron oxidation, as reported in the program output ... 

In practice, the NBO program labels an electron pair as a lone pair (LP) on center B whenever cb 2 > 0.95, i.e., when more than 95% of the electron density is concentrated on B, with only a weak (<5%) delocalization tail on A. Although this numerical threshold produces an apparent discontinuity in program output for the best single NBO Lewis structure, the multi-resonance NRT description depicts smooth variations of bond order from uF(lon) = 1 (pure ionic one-center) to bu 10n) = 0 (covalent two-center). This properly reflects the fact that the ionic-covalent transition is physically a smooth, continuous variation of electron-density distribution, rather than abrupt hopping from one distinct bond type to another. 

We expect to obtain elements that satisfy (1.58). The program output is ... 

We used the program given in Example 1.6 to calculate the eigenvalues and eigenvectors of X X, where X is the centered observation matrix from the data of Table 1.3. The program output is as follows. 

The error tolerance EP is set to the value EP = Xy lE-6, which is certainly smaller than the attainable accuracy based on the approximate equation (2.5). Due to the PRINT statement in the user supplied subroutine the program output is long, and only a few iterations are shown in Table 2.1. 

The first part of the program output comes from the module M42 of multivariable linear regression. The parameters P(l), P(2), P(3) and P(4) correspond to a, and t, respectively, and have no physical meaning. 

Figure 2 shows a mass spectrum of cadmium spiked with enriched 106Cd. The solid line at position 106 represents the 106Cd spike, and the dashed lines represent the relative abundance for the other cadmium isotopes. The dashed line at juxtaposition at 106 is the relative abundance of 106Cd as it occurs in nature. Table I shows the IBM 1130 computer-programmed output for a typical isotope dilution analysis. The program... 

PROGRAM OUTPUT ANSWERS Tray Active Atea Flood X- l7 -83 Ttay DC Flood X- I69 16... 

Figure 3.6 Program output answers from Fig. 3.5 program input form.

Program Output Answers "I ItipLd LMTD Cmr I K J Faclw 1--... 

In practice, this means that the number of digits of accuracy in the solution is approximately doubled at every step. This can be seen from the program output for a simple one-dimensional application of Newton s method to finding the root of a (equivalently, solving f x) = x2 - a = 0 or minimizing f(x) = x3/3 - ax) (Figure 13). 

Figure 14 Minimization paths by different methods for the two-dimensional Rosen-brock function f(xx,x2) = (1 — x,)2 + 100(x2 - x,2)2 (a) truncated Newton, (b) conjugate gradient, (c) BFGS quasi-Newton, (d) limited-memory BFGS, (e) steepest descent, first 150 iterations. See program output in Figure 15.

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