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Testing changes to throw some warnings.
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@@ -2766,9 +2766,10 @@ VPUBLIC int NOsh_parseGEOFLOW(
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/* Pass the token through a series of parsers */
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rc = PBEparm_parseToken(pbeparm, tok, sock);
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// /*currently the only bc handle by geoflow is mdh so we check here if mdh was read*/
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/*currently the only bc handle by geoflow is mdh so we check here if mdh was read*/
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// if(pbeparm->bcfl == BCFL_MDH){
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// Vnm_print(2, "NOsh_parseGEOFLOW: ");
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// Vnm_tprint(0, "NOsh_parseGEOFLOW: Geoflow currently only supports mdh boundary conditions!\n");
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// return 0;
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// }
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if (rc == -1) {
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Vnm_print(0, "NOsh_parseGEOFLOW: parsePBE error!\n");
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@@ -5123,7 +5123,7 @@ VPUBLIC int solveGeometricFlow( Valist* molecules[NOSH_MAXMOL],
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geoflowIn.m_etolSolvation = .01 ; // to be added?
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// debug
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printGeometricFlowStruct( geoflowIn );
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//printGeometricFlowStruct( geoflowIn );
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printf("num mols: %i\n", nosh->nmol);
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struct GeometricFlowOutput geoflowOut =
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