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removing uncommented code and debugging output

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lizutah
2015-12-23 09:49:30 -08:00
parent 7f0e27cf80
commit 3a8d6c05bd
3 changed files with 2 additions and 9 deletions
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2
externals/geoflow_c vendored

Submodule externals/geoflow_c updated: b0c14f5e1a...9b9ae11397

7
src/generic/geoflowparm.h
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@@ -100,14 +100,7 @@ typedef struct sGEOFLOWparm {
int parsed; /**< Has this structure been filled? (0 = no, 1 = yes) */
/* *** GENERIC PARAMETERS *** */
// double dcel;
// double pres;
// double gama;
int vdw;
// int setdcel;
// int setpres;
// int setgama;
int setvdw;
double etol; /**< user defined error tolerance */

2
src/routines.c
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@@ -5123,7 +5123,7 @@ VPUBLIC int solveGeometricFlow( Valist* molecules[NOSH_MAXMOL],
geoflowIn.m_etolSolvation = .01 ; // to be added?
// debug
printGeometricFlowStruct( geoflowIn );
//printGeometricFlowStruct( geoflowIn );
printf("num mols: %i\n", nosh->nmol);
struct GeometricFlowOutput geoflowOut =