Psi4
Macros | Variables
masses.h File Reference

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Macros

#define LAST_ATOMIC_INDEX   (118)
 
#define LAST_MASS_INDEX   (3297)
 

Variables

static const char * atomic_labels []
 
static const double an2masses []
 
static const char * mass_labels []
 
static const double atomic_masses []
 

Macro Definition Documentation

#define LAST_ATOMIC_INDEX   (118)
#define LAST_MASS_INDEX   (3297)

Variable Documentation

const double an2masses[]
static
Initial value:
=
{0.,1.00782503207,4.00260325415,7.016004548,9.012182201,11.009305406,
12,14.00307400478,15.99491461956,18.998403224,19.99244017542,
22.98976928087,23.985041699,26.981538627,27.97692653246,30.973761629,
31.972070999,34.968852682,39.96238312251,38.963706679,39.962590983,
44.955911909,47.947946281,50.943959507,51.940507472,54.938045141,
55.934937475,58.933195048,57.935342907,62.929597474,63.929142222,
68.925573587,73.921177767,74.921596478,79.916521271,78.918337087,
85.910610729,84.911789737,87.905612124,88.905848295,89.904704416,
92.906378058,97.905408169,98.906254747,101.904349312,102.905504292,
105.903485715,106.90509682,113.90335854,114.903878484,119.902194676,
120.903815686,129.906224399,126.904472681,131.904153457,132.905451932,
137.905247237,138.906353267,139.905438706,140.907652769,141.907723297,
144.912749023,151.919732425,152.921230339,157.924103912,158.925346757,
163.929174751,164.93032207,165.930293061,168.93421325,173.938862089,
174.940771819,179.946549953,180.947995763,183.950931188,186.955753109,
191.96148069,192.96292643,194.964791134,196.966568662,201.970643011,
204.974427541,207.976652071,208.980398734,208.982430435,210.987496271,
222.017577738,222.01755173,228.031070292,227.027752127,232.038055325,
231.03588399,238.050788247,237.048173444,242.058742611,243.06138108,
247.07035354,247.07030708,251.079586788,252.082978512,257.095104724,
258.098431319,255.093241131,260.105504,263.112547,255.107398,259.114500,
262.122892,263.128558,265.136151,281.162061,272.153615,283.171792,283.176451,
285.183698,287.191186,292.199786,291.206564,293.214670}
const char* atomic_labels[]
static
Initial value:
=
{"X","H","HE","LI","BE","B","C","N","O","F","NE","NA","MG","AL","SI",
"P","S","CL","AR","K","CA","SC","TI","V","CR","MN","FE","CO","NI",
"CU","ZN","GA","GE","AS","SE","BR","KR","RB","SR","Y","ZR","NB","MO",
"TC","RU","RH","PD","AG","CD","IN","SN","SB","TE","I","XE","CS","BA",
"LA","CE","PR","ND","PM","SM","EU","GD","TB","DY","HO","ER","TM","YB",
"LU","HF","TA","W","RE","OS","IR","PT","AU","HG","TL","PB","BI","PO",
"AT","RN","FR","RA","AC","TH","PA","U","NP","PU","AM","CM","BK","CF",
"ES","FM","MD","NO","LR","RF","DB","SG","BH","HS","MT","DS","RG",
"UUB","UUT","UUQ","UUP","UUH","UUS","UUO"}
const double atomic_masses[]
static
const char* mass_labels[]
static