[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/NVT.cpp

Comparing trunk/OOPSE/libmdtools/NVT.cpp (file contents):
Revision 854 by mmeineke, Thu Nov 6 19:11:38 2003 UTC vs.
Revision 855 by mmeineke, Thu Nov 6 22:01:37 2003 UTC

#	Line 29 \| Line 29 \| *template<typename T> NVT<T>::NVT ( SimInfo theInfo, F**
29		have_chi_tolerance = 0;
30		integralOfChidt = 0.0;
31
32	–	// retrieve chi and integralOfChidt from simInfo
33	–	data = info->getProperty(CHIVALUE_ID);
34	–	if(data){
35	–	chiValue = dynamic_cast<DoubleData*>(data);
36	–	}
32
33	<	data = info->getProperty(INTEGRALOFCHIDT_ID);
39	<	if(data){
40	<	integralOfChidtValue = dynamic_cast<DoubleData*>(data);
41	<	}
33	>	if( theInfo->useInitXSstate ){
34
35	<	// chi and integralOfChidt should appear by pair
36	<	if(chiValue && integralOfChidtValue){
37	<	chi = chiValue->getData();
38	<	integralOfChidt = integralOfChidtValue->getData();
35	>	// retrieve chi and integralOfChidt from simInfo
36	>	data = info->getProperty(CHIVALUE_ID);
37	>	if(data){
38	>	chiValue = dynamic_cast<DoubleData*>(data);
39	>	}
40	>
41	>	data = info->getProperty(INTEGRALOFCHIDT_ID);
42	>	if(data){
43	>	integralOfChidtValue = dynamic_cast<DoubleData*>(data);
44	>	}
45	>
46	>	// chi and integralOfChidt should appear by pair
47	>	if(chiValue && integralOfChidtValue){
48	>	chi = chiValue->getData();
49	>	integralOfChidt = integralOfChidtValue->getData();
50	>	}
51		}
52
53		oldVel = new double[3*nAtoms];

-–
+Removed lines
-+
+Added lines
-<
+Changed lines
->
+Changed lines