- Timestamp:
- Dec 16, 2009, 11:47:47 AM (16 years ago)
- Children:
- 35f733, 59b9dd
- Parents:
- 02911f
- Location:
- util/src
- Files:
-
- 10 edited
-
CreateGaAs.c (modified) (2 diffs)
-
CreateH2.c (modified) (2 diffs)
-
GetPdb.c (modified) (2 diffs)
-
Makefile.am (modified) (1 diff)
-
NanoCreator.c (modified) (2 diffs)
-
ReadSrcIon.c (modified) (2 diffs)
-
VibrAlyzer.c (modified) (2 diffs)
-
average.cpp (modified) (2 diffs)
-
diagonalize.c (modified) (1 diff)
-
stochastik.cpp (modified) (2 diffs)
Legend:
- Unmodified
- Added
- Removed
-
util/src/CreateGaAs.c
r02911f ref87ee 13 13 #include<math.h> 14 14 15 #include "version.h" 16 15 17 int main(int argc, char** argv) { 16 18 int n[3], N[3]; … … 22 24 L[1] = 10.47; 23 25 L[2] = 10.47; 26 27 fprintf(stdout, "%s\n", ESPACKVersion); 28 24 29 if(argc < 6) { 25 30 fprintf(stderr,"Not enough arguments\nUsage: CreateGaAs source target nmax\n"); -
util/src/CreateH2.c
r02911f ref87ee 13 13 #include<math.h> 14 14 15 #include "version.h" 16 15 17 int main(int argc, char** argv) { 16 18 int Steps, s; … … 20 22 FILE *target; 21 23 char dummy[255]; 24 25 fprintf(stdout, "%s\n", ESPACKVersion); 26 22 27 if(argc < 8) { 23 28 fprintf(stderr,"Not enough arguments\nUsage: CreateH2 target Steps startx starty startz delta xyz\n"); -
util/src/GetPdb.c
r02911f ref87ee 10 10 #include<stdio.h> 11 11 #include<math.h> 12 12 13 #include"mergesort.h" 14 #include "version.h" 15 13 16 struct Coord { 14 17 double coord[3]; … … 28 31 double center[3][2] = {{0.,0.},{0.,0.},{0.,0.}}; 29 32 double Bohr = 0.52919; 33 34 fprintf(stdout, "%s\n", ESPACKVersion); 35 30 36 sequence = (struct Coord **) 31 37 malloc(sizeof(struct Coord*)*max); -
util/src/Makefile.am
r02911f ref87ee 85 85 bin_SCRIPTS = ${bashscripts} ${perlscripts} ${pythonscripts} 86 86 87 FORCE: 88 $(srcdir)/.git-version: FORCE 89 @if (test -d $(top_srcdir)/../.git && cd $(srcdir) && git describe --tags HEAD) > .git-version-t 2>/dev/null \ 90 && ! diff .git-version-t $(srcdir)/.git-version >/dev/null 2>&1; then \ 91 mv -f .git-version-t $(srcdir)/.git-version; \ 92 else \ 93 rm -f .git-version-t; \ 94 fi 95 96 EXTRA_DIST = $(srcdir)/.git-version 97 98 $(srcdir)/version.c: $(srcdir)/.git-version 99 echo "const char *ESPACKVersion = \"$(PACKAGE_NAME) -- git version: "`cat $(srcdir)/.git-version`"\";" > $@ 100 101 average_SOURCES += $(srcdir)/version.c 102 CreateGaAs_SOURCES += $(srcdir)/version.c 103 CreateH2_SOURCES += $(srcdir)/version.c 104 diagonalize_SOURCES += $(srcdir)/version.c 105 GetPdb_SOURCES += $(srcdir)/version.c 106 NanoCreator_SOURCES += $(srcdir)/version.c 107 ReadSrcIon_SOURCES += $(srcdir)/version.c 108 stochastik_SOURCES += $(srcdir)/version.c 109 VibrAlyzer_SOURCES += $(srcdir)/version.c 110 -
util/src/NanoCreator.c
r02911f ref87ee 11 11 12 12 #include "NanoCreator.h" 13 #include "version.h" 13 14 14 15 … … 678 679 int i,j, ggT; 679 680 int length; 681 682 fprintf(stdout, "%s\n", ESPACKVersion); 680 683 681 684 // Read command line arguments -
util/src/ReadSrcIon.c
r02911f ref87ee 13 13 #include<math.h> 14 14 #include<string.h> 15 16 #include "version.h" 15 17 16 18 #define NDIM (3) … … 150 152 FILE *SrcIonDoc, *SrcIonData; 151 153 154 fprintf(stdout, "%s\n", ESPACKVersion); 155 152 156 OpenFile(&SrcIonDoc, suffixsrciondoc, "r"); 153 157 if (fscanf(SrcIonDoc,"%i", &Max_Types) != 1) -
util/src/VibrAlyzer.c
r02911f ref87ee 8 8 #include <stdlib.h> 9 9 #include <math.h> 10 11 #include "version.h" 10 12 11 13 /** Main routine. … … 31 33 double gauge; // conversion to atomic units for time axis 32 34 35 printf("Molecular Vibrations Analyser - VibrAlyzer\n%s\n", ESPACKVersion); 36 33 37 // Check for needed arguments 34 38 if (argc < 4) { 35 printf("Molecular Vibrations Analyser - VibrAlyzer\n\n");36 39 printf("Usage: %s <time gauge> <freq.step> <temperature file>\n", argv[0]); 37 40 printf("\t<time gauge>\tConversion factor from step count to atomic time\n"); -
util/src/average.cpp
r02911f ref87ee 7 7 #include <string> 8 8 9 #include "version.h" 9 10 10 11 int main(int argc, char **argv) { … … 19 20 stringstream line; 20 21 22 cout << ESPACKVersion << endl; 23 21 24 if (argc < 4) { 22 25 cout << "Usage: " << argv[0] << " <firstCol> <lastCol> <X> <File>\n"; -
util/src/diagonalize.c
r02911f ref87ee 7 7 #include <gsl/gsl_eigen.h> 8 8 9 #include "version.h" 10 9 11 int main(int argc, char **argv) 10 12 { 11 13 double matrix[9]; 12 14 int i; 15 16 fprintf(stdout, "%s\n", ESPACKVersion); 13 17 14 18 if (argc < 9) { -
util/src/stochastik.cpp
r02911f ref87ee 6 6 #include <math.h> 7 7 #include <string> 8 9 #include "version.h" 8 10 9 11 … … 18 20 stringstream line; 19 21 22 cout << ESPACKVersion << endl; 23 20 24 if (argc < 4) { 21 25 cout << "Usage: " << argv[0] << " <Spalte> <X> <File1> <File2> ...\n";
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