[ViewVC] Diff of: group/trunk/OOPSE/utils/sysBuild.hpp

Comparing trunk/OOPSE/utils/sysBuild.hpp (file contents):
Revision 597 by chuckv, Thu Jul 10 19:53:50 2003 UTC vs.
Revision 598 by chuckv, Mon Jul 14 21:35:45 2003 UTC

#	Line 24 \| Line 24 \| typedef struct{
24
25		char forceField[STR_LENGTH];
26		char ensemble[STR_LENGTH];
27	+
28	+	char lattice[STR_LENGTH];
29	+
30		double targetTemp;
31		double dt;
32		double runTime;
#	Line 32 \| Line 35 \| typedef struct{
35		int totNmol;
36		int* componentsNmol;
37
38	+
39	+
40		MoleculeStamp** compStamps;
41
42		int havePressure;
#	Line 44 \| Line 49 \| typedef struct{
49		double tauThermostat;
50		double Qmass;
51
52	+	int latticeType; // Type of lattice corresponting to the
53	+	// types defined in latticeBuilder.hpp
54	+	int isRandomParticle; // Build a random nanoparticle.
55	+	int hasVacancies; // Build nanoparticle with vacancies.
56	+	int buildCoreShell; // logical to build a core-shell particle
57	+
58	+	double soluteX; // more fraction of solute in random nanoparticle
59	+	double paticleRadius; // nanoparticle total radius
60	+	double coreRadius; // nanoparticle core radius
61	+	double shellRadius; // nanoparticle shell radius (unused)
62	+	double latticeSpacing; // lattice spacing for lattice in builder
63	+	double vacancyRadius; // Radius surrounding the core-shell interface to
64	+	// build vacancies in.
65	+	double vacancyFraction; // Fraction of interface region to be converted to vacancies.
66	+
67	+
68		char lipidName[STR_LENGTH];
69		char waterName[STR_LENGTH];
70
71		char coreName[STR_LENGTH];
72		char shellName[STR_LENGTH];
73
74	+
75	+
76		} bassInfo;
77
78

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