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Scientific Software
MDANSE
Commits
a4250b89
Commit
a4250b89
authored
Jul 26, 2018
by
eric pellegrini
Browse files
added mw entry to elements database
parent
7969e46b
Changes
1
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MDANSE/Data/elements_database.csv
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a4250b89
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@@ -2,6 +2,7 @@
id,name,symbol,nuclear_spin,abundance,nucleon,proton,neutron,group,period,block,serie,state,family,ionization_energy,configuration,url,equal,b_coherent,b_incoherent,b_incoherent2,xs_coherent,xs_incoherent,xs_scattering,xs_absorption,atomic_number,atomic_weight,vdw_radius,covalent_radius,atomic_radius,electronegativity,electroaffinity,charge,color,xray_asf_a1,xray_asf_a2,xray_asf_a3,xray_asf_a4,xray_asf_c,xray_asf_b1,xray_asf_b2,xray_asf_b3,xray_asf_b4
type,str,str,int,float,int,int,int,int,int,str,int,str,str,float,str,str,float,float,float,float,float,float,float,float,int,float,float,float,float,float,float,int,str,float,float,float,float,float,float,float,float,float
Cen,center,Cen,####,####,####,####,####,####,####,####,####,####,####,####,####,####,1,####,####,####,####,####,####,####,####,####,####,####,####,####,####,0,1;1;1,####,####,####,####,####,####,####,####,####
Mw,dummy,Mw,####,####,####,####,####,####,####,####,####,####,####,####,####,####,1,####,####,####,####,####,####,####,####,####,####,####,####,####,####,0,1;1;1,####,####,####,####,####,####,####,####,####
Du,dummy,Du,####,####,####,####,####,####,####,####,####,####,####,####,####,####,1,####,####,####,####,####,####,####,####,####,####,####,####,####,####,0,1;1;1,####,####,####,####,####,####,####,####,####
H,hydrogen,H,####,100,####,1,####,1,1,s,1,gas,non metal,3288.09312,1s1,http://en.wikipedia.org/wiki/Hydrogen,1,-0.00003739,0.000252723,6.3868914729E-008,1.76E-010,8.03E-009,8.20E-009,3.33E-011,1,1.0079,0.109,0.023,0.079,2.2,182.3664668,0,255;255;255,0.493002,0.322912,0.140191,0.04081,0.003038,0.105109,0.261257,0.0314236,0.577997
H1,hydrogen,H,0.5,99.985,1,1,0,1,1,s,1,gas,non metal,3288.09312,1s1,http://en.wikipedia.org/wiki/Hydrogen,1,-0.000037406,0.00025274,6.38775076E-008,1.76E-010,8.03E-009,8.20E-009,3.33E-011,1,1.007825032,0.109,0.023,0.079,2.2,182.3664668,0,1;1;1,0.493002,0.322912,0.140191,0.04081,0.003038,0.105109,0.261257,0.0314236,0.577997
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