1      integer KINDR
2      parameter(KINDR=KIND(0d0))
3c     Double Integers and Fractions
4      double precision ZERO
5      parameter(ZERO=0.0d0)
6      double precision ONE
7      parameter(ONE=1.0d0)
8      double precision TWO
9      parameter(TWO=2.0d0)
10      double precision THREE
11      parameter(THREE=3.0d0)
12      double precision FOUR
13      parameter(FOUR=4.0d0)
14      double precision FIVE
15      parameter(FIVE=5.0d0)
16      double precision SIX
17      parameter(SIX=6.0d0)
18      double precision SEVEN
19      parameter(SEVEN=7.0d0)
20      double precision EIGHT
21      parameter(EIGHT=8.0d0)
22      double precision NINE
23      parameter(NINE=9.0d0)
24      double precision TEN
25      parameter(TEN=10.0d0)
26      double precision ELEVEN
27      parameter(ELEVEN=11.0d0)
28      double precision TWELVE
29      parameter(TWELVE=12.0d0)
30      double precision THIRTEEN
31      parameter(THIRTEEN=13.0d0)
32      double precision FOURTEEN
33      parameter(FOURTEEN=14.0d0)
34      double precision FIFTEEN
35      parameter(FIFTEEN=15.0d0)
36      double precision SIXTEEN
37      parameter(SIXTEEN=16.0d0)
38      double precision SEVENTEEN
39      parameter(SEVENTEEN=17.0d0)
40      double precision EIGHTEEN
41      parameter(EIGHTEEN=18.0d0)
42      double precision NINETEEN
43      parameter(NINETEEN=19.0d0)
44      double precision TWENTY
45      parameter(TWENTY=20.0d0)
46      double precision TWENTYTWO
47      parameter(TWENTYTWO=22.0d0)
48      double precision TWENTYFOUR
49      parameter(TWENTYFOUR=24.0d0)
50      double precision THIRTYTWO
51      parameter(THIRTYTWO=32.0d0)
52      double precision THIRTYSIX
53      parameter(THIRTYSIX=36.0d0)
54      double precision FORTYEIGHT
55      parameter(FORTYEIGHT=48.0d0)
56      double precision SEVENTYTWO
57      parameter(SEVENTYTWO=72.0d0)
58      double precision HUNDRED
59      parameter(HUNDRED=1.0e2)
60      double precision FOURTH
61      parameter(FOURTH=0.25d0)
62      double precision HALF
63      parameter(HALF=0.5d0)
64      double precision THREEFOURTH
65      parameter(THREEFOURTH=0.75d0)
66      double precision THIRD
67      parameter(THIRD=1.0d0 / 3.0d0)
68      double precision TWOTHIRD
69      parameter(TWOTHIRD=2.0d0 / 3.0d0)
70      double precision SIXTH
71      parameter(SIXTH=1.0d0 / 6.0d0)
72      double precision THREESECOND
73      parameter(THREESECOND=3.0d0 / 2.0d0)
74      double precision FOURTHIRD
75      parameter(FOURTHIRD=4.0d0 / 3.0d0)
76c     Constants and Conversions
77      double precision PI
78      parameter(PI=3.14159265358979323846)
79      double precision SQRTPI
80      parameter(SQRTPI=1.7724538509055159)
81      double precision TWOINVPI
82      parameter(TWOINVPI=TWO / PI)
83      double precision SQRTTWOINVPI
84      parameter(SQRTTWOINVPI=0.79788456080286541)
85      double precision TWOINVSQRTPI
86      parameter(TWOINVSQRTPI=TWO / SQRTPI)
87      double precision HART2NM
88      parameter(HART2NM=45.56335)
89      double precision HART2WAVENUM
90      parameter(HART2WAVENUM=219474.629)
91      double precision HART2EV
92      parameter(HART2EV=27.2113961)
93      double precision HART2HZ
94      parameter(HART2HZ=6.579683920729E15)
95      double precision EV2HART
96      parameter(EV2HART=0.0367493088)
97      double precision WAVENUM2HART
98      parameter(WAVENUM2HART=4.5563353E-6)
99      double precision NM2HART
100      parameter(NM2HART=45.56335)
101      double precision NM2EV
102      parameter(NM2EV=1239.0)
103      double precision HBAR
104      parameter(HBAR=6.5821189916e-16) !units = eV s
105      double precision BOHR2ANGSTROM
106      parameter(BOHR2ANGSTROM=0.52917720859)
107      double precision ANGSTROM2BOHR
108      parameter(ANGSTROM2BOHR=1.0E0 / BOHR2ANGSTROM)
109      double precision ANGSTROM2NM
110      parameter(ANGSTROM2NM=1.0E-1)
111      double precision NM2ANGSTROM
112      parameter(NM2ANGSTROM=1.0E0 / ANGSTROM2NM)
113      double precision NM2M
114      parameter(NM2M=1.0E-9)
115      double precision BOHR2NM
116      parameter(BOHR2NM=BOHR2ANGSTROM * ANGSTROM2NM)
117      double precision NM2BOHR
118      parameter(NM2BOHR=1.0E0 / BOHR2NM)
119      double precision AU2DEBYE
120      parameter(AU2DEBYE=2.5417463)
121c     Complex Integers
122      complex*16 I_C
123      Parameter(I_C=(ZERO, ONE))
124      complex*16 ZERO_C
125      Parameter(ZERO_C=(ZERO,ZERO))
126      complex*16 ONE_C
127      Parameter(ONE_C=(ONE, ZERO))
128      complex*16 TWO_C
129      Parameter(TWO_C=(TWO, ZERO))
130      complex*16 THREE_C
131      Parameter(THREE_C=(THREE, ZERO))
132      complex*16 FOUR_C
133      Parameter(FOUR_C=(FOUR, ZERO))
134      complex*16 FIVE_C
135      Parameter(FIVE_C=(FIVE, ZERO))
136      complex*16 SIX_C
137      Parameter(SIX_C=(SIX, ZERO))
138      complex*16 HALF_C
139      Parameter(HALF_C=(HALF, ZERO))
140      complex*16 HUNDRED_C
141      Parameter(HUNDRED_C=(HUNDRED, ZERO))
142c     DIM/QM Constants
143c       screening
144      integer NOSCRN
145      Parameter(NOSCRN=0)
146      integer ERFSCRN
147      Parameter(ERFSCRN=1)
148      integer EXPSCRN
149      Parameter(EXPSCRN=2)
150c       math
151      integer REALMATH
152      Parameter(REALMATH = 1)
153      integer COMPLEXMATH
154      Parameter(COMPLEXMATH = 2)
155
156