aboutsummaryrefslogtreecommitdiff
path: root/academic/wxmacmolplt/wxmacmolplt-7.4.4-files.patch
blob: e02e4ae7e6fa99998a683b490e65238c56a60f12 (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
--- src/Files.cpp.orig	2012-12-30 22:55:10.000000000 +0400
+++ src/Files.cpp	2013-01-20 22:10:48.000000000 +0400
@@ -2420,7 +2420,8 @@
 //	}
 	std::vector<std::pair <std::string, int> > OptKeywords; //search tokens for optimizations
 	OptKeywords.push_back(make_pair (std::string("BEGINNING GEOMETRY SEARCH POINT"), 0));
-	OptKeywords.push_back(make_pair (std::string("1NSERCH"), 1));
+	OptKeywords.push_back(make_pair (std::string("1NSERCH"), 1));
+	OptKeywords.push_back(make_pair (std::string("COORDINATES OF ALL ATOMS ARE (ANGS)"), 2));
 	
 	if (Append) {
 		Buffer->LocateKeyWord("RUN TITLE", 9);	//find and skip over run title since
@@ -3921,7 +3921,9 @@
 		sscanf(&(LineText[6]), "%d", &temp);
 		SetDiag(temp);
 	}
+	Buffer->SetFilePos(EndPos);
 }
+
 long MolDisplayWin::OpenGAMESSTRJ(BufferFile * Buffer, bool Append, long flip, float offset)
 {
 	TypeOfRun		runType=InvalidRunType;