-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathUSER_HELP.FOR
130 lines (115 loc) · 9.1 KB
/
USER_HELP.FOR
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
! Subroutine USER_HELP - Outputs help information to screen
subroutine USER_HELP (line, l)
character*1 letter
character*8 word
character*(*) line
integer*4 l, len, getwrd
equivalence (word, letter)
len = getwrd (line, l, word)
if (len .gt. 0) call upcase (word(1:len))
if (len .eq. 0) then
call remark ('Possible FOCUS commands are:')
call remark (' @ Alter - Alter Parameter, Resolution, Selfshielding, Overall splitting')
call remark (' @ Display - Display Angles, Cef symmetry, Degeneration, Excitations,')
call remark (' IOn R3+, INtensities, Level scheme, MAtrix elements,')
call remark (' MOment of R3+, Operator, Shape of excitations, ')
call remark (' Wavefunctions')
call remark (' @ Help - Help Alter, Display, Help, Info, Montecarlo, Set')
call remark (' @ Info - Info Version, Scattering function, Lineshapes, Resolution,')
call remark (' Intensities, Authors, Cef symmetries, Mu*t ')
call remark (' @ Montecarlo - Monte-Carlo')
call remark (' @ Set - Set Angles(Euler), Cef symmetry, Degeneration, Operator,')
call remark (' Shape of line, Ion ')
call remark (' Capital letters sign the minimal abbreviation.')
call remark (' Type @ HELP HELP for further informations.')
else if (letter .eq. 'A') then
call remark (' @ Alter Parameter [Bkq] - use the Bkq-parameter for fitting (default)')
call remark (' [Akq] - use the Akq-parameter for fitting. They are defined ')
call remark (' by: Akq = Bkq/Stevens_factor/r**k ')
call remark (' [Vkq] - use the normalised Vkq-parameter for fitting')
call remark (' [Xr] - use n-dimensional sphere parameter')
call remark (' [Wx] - use the Lea-Leask-Wolf parameter x,W (only ')
call remark (' possible if the crystal field is cubic) ')
call remark (' Resolution - change resolution parameters')
call remark (' Selfshielding - change selfshielding parameters')
call remark (' Overall splitting - give a level to fix the overall CEF splitting')
call remark (' Capital letters sign the minimal abbreviation.')
else if (letter .eq. 'D') then
call remark (' @ Display Angles...........- list the Euler-angles of the R3+ moment')
call remark (' -> use @ s a to set the Euler-angles')
call remark (' Cef symmetry.....- list the CEF point symmetry the calculation is for')
call remark (' Degeneration.....- list if the degeneration flag is ON (degenerated')
call remark (' energy levels are combined) or OFF (degenerated ')
call remark (' energy levels are NOT combined')
call remark (' -> use @ s d to change the degeneration flag')
call remark (' Excitations......- list the calculated crystal field excitations')
call remark (' IOn..............- list the R3+ ion the calculation is for')
call remark (' INtensities......- list the CEF transition intensities between')
call remark (' CEF energy levels ')
call remark (' Level scheme.....- list the CEF level scheme (CEF transition')
call remark (' energies and transition matrix elements for')
call remark (' a powdered sample)')
call remark (' MAtrix elements..- list the CEF transition matrix elements')
call remark (' MOment R3+.......- list the calculated magnetic moment of R3+')
call remark (' Operator.........- list if calculation uses stevens-operators (ON) ')
call remark (' or 3j-symbols (OFF) ')
call remark (' -> use @ s o to change the operator flag')
call remark (' Shape............- list the lineshape of a special excitation')
call remark (' -> use @ s s to change the lineshape')
call remark (' Wavefunctions....- list the wave function of the R3+ ion')
call remark (' Capital letters sign the minimal abbreviation.')
else if(letter .eq. 'H') then
call remark (' @ HELP is possible on the following COMMANDS:')
call remark (' @ Help Alter - Help provided on the ALTER command')
call remark (' @ Help Display - Help provided on the DISPLAY command')
call remark (' @ Help Help - Help provided on the HELP command')
call remark (' @ Help Info - Help provided on the INFO command')
call remark (' @ Help Montecarlo - Help provided on the MONTECARLO command')
call remark (' @ Help Set - Help provided on the SET command')
call remark (' Capital letters sign the minimal abbreviation.')
else if (letter .eq. 'I') then
call remark (' @ Info Version.............- prints out which version of FOCUS you have')
call remark (' Scattering function - prints out which scattering functions FOCUS uses')
call remark (' Resolution..........- prints out resolution function definiton')
call remark (' Intensities ........- prints out CEF intensity definition ')
call remark (' Authors.............- prints out the origin of FOCUS libraries ')
call remark (' Cef symmetries......- prints out the relationship between point ')
call remark (' symmetries and symmetry numbers ')
call remark (' Mu*t................- prints out the definition of mu*t ')
call remark (' Capital letters sign the minimal abbreviation.')
else if (letter .eq. 'M') then
call remark (' @ Montecarlo [New] - Monte-Carlo on all parameters with finite boundaries.')
call remark (' ')
call remark (' [Display chi**2] - display all chi**2 values found by @ M N. ')
call remark (' ')
call remark (' [Plot parameters] [n1 n2-n3 n4 ...] - plot parameter sets defined ')
call remark (' by @ M N over the neutron')
call remark (' data. n1,n2,... are the')
call remark (' positions of the Chi**2')
call remark (' values in the Chi**2 list.')
call remark (' --> See @ M D.')
call remark (' ')
call remark (' [Load parameters] [n1] - load in a selected parameter set which')
call remark (' has been defined by @ M N. n1 is the')
call remark (' position of a Chi**2 value in the Chi**2')
call remark (' list.')
call remark (' --> See @ M D.')
call remark (' Capital letters sign the minimal abbreviation.')
else if (letter .eq. 'S') then
call remark (' @ Set Angles - set the Euler-angles alpha, beta and gamma')
call remark (' Cef symmetry [nr] - set a CEF symmetry of symmetry number nr ')
call remark (' nr must be between 0 and 8. ')
call remark (' Degeneration [OFf] - degenerated energy levels are not combined (default) ')
call remark (' [ON] - degenerated energy levels are combined ')
call remark (' Ion [R3+] - set the R3+ ion. R=CE,ND,PR ... ')
call remark (' Operator [OFf] - calculation uses 3j-symbols')
call remark (' [ON] - calculation uses steven-operators')
call remark (' Shape [n1 n2-n3 n4 ...] - set a specified lineshape for a')
call remark (' special excitation. n1,n2,... are')
call remark (' numbers of the excitations. See: @ D S')
call remark (' Capital letters sign the minimal abbreviation.')
else
call remark ('ERROR: @ h "'//letter//'" not recognized')
end if
return
end