"简明易懂的FAC 1.0.1用户手册，包含详尽说明及安装步骤"

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"Manual of a Popular Program.pdf"是一份重要的说明文档，展示了FAC 1.0.1的详细使用指南。该程序由M. F. Gu在麻省理工学院的太空研究中心开发，并在航天研究领域得到了广泛应用。这份说明文档共有2000字，内容十分丰富，主要包括以下部分： 1. 概述：在概述部分，详细介绍了FAC是什么，以及它的重要性。FAC是一种流行的软件程序，用于在航天研究中进行数据分析和处理。它提供了一系列实用工具和功能，帮助研究人员快速准确地处理数据，并得出有意义的结论。 2. 获取和安装FAC：在获取和安装FAC部分，解释了如何获取FAC程序并进行安装。用户可以通过访问某个网站或联系M. F. Gu来获取该程序的最新版本。安装过程也被详细描述，以便用户能够顺利地进行安装。 3. 快速上手：在快速上手部分，提供了一些简短但实用的指导，帮助用户快速了解FAC的基本操作和功能。其中介绍了SFAC界面，该界面是FAC的主要界面，提供了各种功能按钮和参数设置选项，使用户能够快速进行数据分析和处理。 4. 高级功能：在高级功能部分，详细介绍了FAC的一些高级功能和工具。例如，FAC提供了多种数据处理算法和模型，用户可以根据实际需求选择适合的算法来处理数据。另外，FAC还提供了数据可视化功能，用户可以通过绘制图表和图像来更直观地分析数据。 5. 常见问题解答：在常见问题解答部分，列举了一些用户常遇到的问题，并提供了详细的解答。这些问题涵盖了FAC的安装、使用和故障排除等方面，能够帮助用户快速解决问题并顺利使用该程序。通过阅读这份说明文档，用户可以全面了解FAC程序的功能和使用方法，从而更加高效地进行航天数据的分析和处理。鉴于该文档的详细程度和全面性，它对于初学者和熟练用户都是一份有价值的参考资料。无论是在学术研究还是实际应用中，FAC的使用手册都是必不可少的工具。

资源详情

资源推荐

1: from pfac import fac

2: fac.SetAtom(’Fe’)

3: # 1s shell is closed

4: fac.Closed(’1s’)

5: fac.Config(’2*8’, group = ’n2’)

6: fac.Config(’2*7 3*1’, group = ’n3’)

7: # Self-consistent iteration for optimized central potential

8: fac.ConfigEnergy(0)

# the configurations passed to OptimizeRadial should always

# be one or two of the lowest lying ones. If you need more highly

# excited levels, such as n=4, 5, 6, ..., do not put them into

# OptimizeRadial.

9: fac.OptimizeRadial([’n2’, ’n3’])

10: fac.ConfigEnergy(1)

11: fac.Structure(’ne.lev.b’, [’n2’, ’n3’])

12: fac.MemENTable(’ne.lev.b’)

13: fac.PrintTable(’ne.lev.b’, ’ne.lev’, 1)

14: fac.TransitionTable(’ne.tr.b’, [’n2’], [’n3’])

15: fac.PrintTable(’ne.tr.b’, ’ne.tr’, 1)

Line numbers are added for easy reference, they are not part of the script. As is evident from the above

list, all functions implemented in the FAC extension modules have a naming convention of concatenated

capitalized words. Line 1 imports the extension module fac from the package pfac. Alternatively, one

could have used

from pfac.fac import *

then, all module qualiﬁers fac. in the following lines can be omitted. Line 2 set the atomic element to be iron.

Line 3 is a comment, which starts with a #. Line 4–6 speciﬁes the electronic conﬁgurations to be included

in the calculation. The closed shells speciﬁed by the function Closed must be inactive in this calculation.

In the Config functions, 2*8 stands for an n = 2 complexes with 8 electrons, while 2*7 3*1 stands for all

conﬁgurations resulting from excitation of one electron from n = 2 to n = 3. For more possibilities in the

speciﬁcation of electronic conﬁgurations, one is referred to Chapter 3. Line 8–10 carries out a Dirac-Fock-

Slater self-consistent calculation to derive a local central potential which represents the electronic screening

of the nuclear potential. In this calculation, the potential is optimized to the average electron clouds of

conﬁgurations n2 and n3, since in FAC, all atomic processes are treated with basis wavefunctions generated

from a single potential. This results in the potential to be less optimized for n2 and n3 individually. Lines

8 and 10 are used to make a crude correction to the resulting energy levels due to this eﬀect. The ﬁrst call

to ConfigEnergy(0) will make individual optimization to all conﬁguration groups. The average energy of

each conﬁguration group with these indivudually optimized potential is then calculated and stored. The

second call to ConfigEnergy(1) will then recalculate the average energy of conﬁguration groups under

the potential taking into account all conﬁguration groups. The diﬀerence between the two represents the

eﬀect of a less optimized potential, and are used to adjust the ﬁnal energy levels. If this procedure is not

needed, one can omit line 8 and 10 in this script. Line 11 sets up the Hamiltonian matrix for levels in

n = 2 and n = 3 complexes, diagonalize it, and saves to the energy level information in the binary ﬁle

ne.lev.b. Line 12 builds an in-memory table of energy levels, which is used to convert the binary ﬁles to

their ASCII counterparts in verbose mode, such as done in Line 13, which converts ne.lev.b to ne.lev

(the last argument to PrintTable indicates it be done in verbose mode). For the conversion in simple mode

(the last argument is 0), the in-memory table is not needed, and Line 12 may be omitted. For the diﬀerence

between the verbose and simple ASCII ﬁles, see Chapter 2. Line 14 calculates the E1 oscillator strength

and transition rates between coﬁguration groups n2 and n3, and saves the results in the binary ﬁle ne.tr.b.

The function TransitionTable accepts an optional 4th integer argument specifying the transition type. A

negative integer means electric multipol and a positive integer for magnetic multipole. The absolute value of

the integer indicates the rank of the multipole. Therefore, −1 would be E1, +1 would be M1, etc. Without

this argument, the default is E1, as is done here. Line 15 converts the binary output to an ASCII ﬁle in

verbose mode. The exact formats of binary and ASCII ﬁles are explained in Chapter 2. Here we list the two

ASCII ﬁles ne.lev and ne.tr resulted from this calculation.

File ne.lev:

FAC 0.7.6

Endian = 0

TSess = 1029027579

Type = 1

Verbose = 1

Fe Z = 26.0

NBlocks = 1

E0 = 0, -3.12494784E+04

NELE = 10

NLEV = 37

Energy P VNL 2J

0 0.00000000E+00 0 201 0 1*2 2*8 2p6 2p+4(0)0

1 7.24353943E+02 1 300 4 1*2 2*7 3*1 2p5 3s1 2p+3(3)3 3s+1(1)4

2 7.26393494E+02 1 300 2 1*2 2*7 3*1 2p5 3s1 2p+3(3)3 3s+1(1)2

3 7.37238831E+02 1 300 0 1*2 2*7 3*1 2p5 3s1 2p-1(1)1 3s+1(1)0

4 7.38577454E+02 1 300 2 1*2 2*7 3*1 2p5 3s1 2p-1(1)1 3s+1(1)2

5 7.54684448E+02 0 301 2 1*2 2*7 3*1 2p5 3p1 2p+3(3)3 3p-1(1)2

6 7.58348267E+02 0 301 4 1*2 2*7 3*1 2p5 3p1 2p+3(3)3 3p-1(1)4

7 7.59979248E+02 0 301 6 1*2 2*7 3*1 2p5 3p1 2p+3(3)3 3p+1(3)6

8 7.61135193E+02 0 301 2 1*2 2*7 3*1 2p5 3p1 2p+3(3)3 3p+1(3)2

9 7.62972046E+02 0 301 4 1*2 2*7 3*1 2p5 3p1 2p+3(3)3 3p+1(3)4

10 7.68711975E+02 0 301 0 1*2 2*7 3*1 2p5 3p1 2p+3(3)3 3p+1(3)0

11 7.70705017E+02 0 301 2 1*2 2*7 3*1 2p5 3p1 2p-1(1)1 3p-1(1)2

12 7.73933716E+02 0 301 2 1*2 2*7 3*1 2p5 3p1 2p-1(1)1 3p+1(3)2

13 7.74405396E+02 0 301 4 1*2 2*7 3*1 2p5 3p1 2p-1(1)1 3p+1(3)4

14 7.91043762E+02 0 301 0 1*2 2*7 3*1 2p5 3p1 2p-1(1)1 3p-1(1)0

15 8.00673401E+02 1 302 0 1*2 2*7 3*1 2p5 3d1 2p+3(3)3 3d-1(3)0

16 8.01713074E+02 1 302 2 1*2 2*7 3*1 2p5 3d1 2p+3(3)3 3d-1(3)2

17 8.03623108E+02 1 302 4 1*2 2*7 3*1 2p5 3d1 2p+3(3)3 3d+1(5)4

18 8.03792480E+02 1 302 8 1*2 2*7 3*1 2p5 3d1 2p+3(3)3 3d+1(5)8

19 8.04533203E+02 1 302 6 1*2 2*7 3*1 2p5 3d1 2p+3(3)3 3d-1(3)6

20 8.06197388E+02 1 302 4 1*2 2*7 3*1 2p5 3d1 2p+3(3)3 3d-1(3)4

21 8.07330078E+02 1 302 6 1*2 2*7 3*1 2p5 3d1 2p+3(3)3 3d+1(5)6

22 8.12196411E+02 1 302 2 1*2 2*7 3*1 2p5 3d1 2p+3(3)3 3d+1(5)2

23 8.17411499E+02 1 302 4 1*2 2*7 3*1 2p5 3d1 2p-1(1)1 3d-1(3)4

24 8.18119019E+02 1 302 4 1*2 2*7 3*1 2p5 3d1 2p-1(1)1 3d+1(5)4

25 8.18746826E+02 1 302 6 1*2 2*7 3*1 2p5 3d1 2p-1(1)1 3d+1(5)6

26 8.26612610E+02 1 302 2 1*2 2*7 3*1 2p5 3d1 2p-1(1)1 3d-1(3)2

27 8.61517029E+02 0 300 2 1*2 2*7 3*1 2s1 3s1 2s+1(1)1 3s+1(1)2

28 8.68436157E+02 0 300 0 1*2 2*7 3*1 2s1 3s1 2s+1(1)1 3s+1(1)0

29 8.94455078E+02 1 301 0 1*2 2*7 3*1 2s1 3p1 2s+1(1)1 3p-1(1)0

30 8.94953308E+02 1 301 2 1*2 2*7 3*1 2s1 3p1 2s+1(1)1 3p-1(1)2

31 8.97325012E+02 1 301 4 1*2 2*7 3*1 2s1 3p1 2s+1(1)1 3p+1(3)4

32 8.99311401E+02 1 301 2 1*2 2*7 3*1 2s1 3p1 2s+1(1)1 3p+1(3)2

33 9.39470825E+02 0 302 2 1*2 2*7 3*1 2s1 3d1 2s+1(1)1 3d-1(3)2

34 9.39646851E+02 0 302 4 1*2 2*7 3*1 2s1 3d1 2s+1(1)1 3d-1(3)4

35 9.39932495E+02 0 302 6 1*2 2*7 3*1 2s1 3d1 2s+1(1)1 3d+1(5)6

36 9.44828674E+02 0 302 4 1*2 2*7 3*1 2s1 3d1 2s+1(1)1 3d+1(5)4

File ne.tr:

FAC 0.7.6

Endian = 0

TSess = 1020438482

Type = 2

Verbose = 1

Fe Z = 26.0

NBlocks = 1

NELE = 10

NTRANS = 7

Multip = -1

Gauge = 2

Mode = 1

2 2 0 0 7.2639E+02 1.22460954E-01 9.34608241E+11

4 2 0 0 7.3858E+02 1.04401819E-01 8.23736467E+11

16 2 0 0 8.0171E+02 1.02572953E-02 9.53583862E+10

22 2 0 0 8.1220E+02 6.31992579E-01 6.03006697E+12

26 2 0 0 8.2661E+02 2.61516809E+00 2.58459031E+13

30 2 0 0 8.9495E+02 3.35455649E-02 3.88618945E+11

32 2 0 0 8.9931E+02 2.80109644E-01 3.27669724E+12

In ﬁle ne.lev, the energy, parity, 2J (J is the total angular momentum of the level), and conﬁguration

coupling informations are listed. In ﬁle ne.tr, the upper and lower level indexes, the 2J values of these

levels, the transition energy, gf-values, and radiative decay rates are given.

Acknowledgments

Throughout the development of this work, the discussion with Ehud Behar, Masao Sako, Peter Beiersdorfer,

Ali Kinkhabwala and Steven Kahn has been very useful. Many Fortran 77 subroutines were retrieved from

Netlib repository (www.netlib.org) and used in this package, as well as several programs from Computer

Physics Communications Program Library at www.cpc.cs.qub.ac.uk.

This work is supported by NASA through Chandra Postdoctoral Fellowship Award Number PF01-10014

issued by the Chandra X-ray Observatory Center, which is operated by Smithsonian Astrophysical Obser-

vatory for and on behalf of NASA under contract NAS8-39073.

Any opinions, ﬁndings and conclusions or recommendations expressed in this manual are those of the author

and do not necessrarily reﬂect the views of the National Aeronautics Space Administration and/or the

Smithonian Astrophysical Observatory.

2 Description of Output Files

The primary output ﬁles of FAC are in binary format. The I/O functionality and the conversion from binary

to ASCII format are implemented in the source ﬁles faclib/dbase.h and faclib/dbase.c. In this chapter,

we describe the structure of these ﬁles in detail.

2.1 Binary Format

Presently, FAC produces 10 diﬀerent types of ﬁles. Each type is asigned a unique integer from 1–10, which

corresponds to a macro deﬁne in the ﬁle faclib/dbase.h. These types are

DB EN = 1 : Energy levels produced by the function fac.Structure.

DB TR = 2 : Radiative transition rates produced by fac.TransitionTable.

DB CE = 3 : Collisional excitation cross sections produced by fac.CETable.

DB RR = 4 : Radiative recombination and photoionization cross sections produced by fac.RRTable.

DB AI = 5 : Autoionization rates produced by fac.AITable.

DB CI = 6 : Collisional ionization cross sections produced by fac.CITable.

DB SP = 7 : Spectral line strengths produced by crm.SpecTable.

DB RT = 8 : Various population rates produced by crm.RateTable.

DB DR = 9 : Various population rates produced by crm.DRStrength.

dB AIM = 10 : Magnetic sublevel autoionization rates and DR capture strengths produced by fac.AITableMSub.

All ﬁles have a common structure. It consists of a ﬁle header and one or more data blocks. Each data block

is comprised of a data header and one or more data records. In the following, we show the C deﬁnition of

all structs and describe each ﬁeld in detail. When one ﬁeld is a pointer, it means that an array is saved in

the database. The pointer points to the memory location where the data is stored. The value of the pointer

itself is also saved in the ﬁle followed by the data stored in the array. Obviously, the saved pointer itself has

no meaning once the program exits (since it is a memory location), it is saved for the sake of convenience.

When reading out the data from the database ﬁle, these pointer values should be ignored.

2.1.1 F HEADER

F HEADER is the ﬁle header common to all data ﬁles.

typedef struct _F_HEADER_ {

long tsession;

int version;

int sversion;

int ssversion;

int type;

float atom;

char symbol[4];

int nblocks;

} F_HEADER;

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