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Tony's 17Jan2012 changes to gases, prep, read.cpp
Working on bugs in ss. git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6074 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst
parent
02ece436f4
commit
bcdeaf2233
19
Parser.cxx
19
Parser.cxx
@ -1259,16 +1259,19 @@ CParser::getOptionFromLastLine(const std::vector < std::string > &opt_list,
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}
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else
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{
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if (true) // (database_file == NULL)
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if (false) // don't throw error
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{
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//get_output() << "\t" << m_line_save << "\n";
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std::ostringstream msg;
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msg << "\t" << m_line_save << "\n";
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io->output_msg(msg.str().c_str());
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if (true) // (database_file == NULL)
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{
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//get_output() << "\t" << m_line_save << "\n";
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std::ostringstream msg;
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msg << "\t" << m_line_save << "\n";
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io->output_msg(msg.str().c_str());
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}
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error_msg("Unknown option.", PHRQ_io::OT_CONTINUE);
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error_msg(m_line_save.c_str(), PHRQ_io::OT_CONTINUE);
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incr_input_error();
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}
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error_msg("Unknown option.", PHRQ_io::OT_CONTINUE);
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error_msg(m_line_save.c_str(), PHRQ_io::OT_CONTINUE);
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incr_input_error();
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j = OPT_ERROR;
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next_pos = pos_ptr;
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}
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@ -171,6 +171,7 @@ cxxSSassemblage::read_raw(CParser & parser, bool check)
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{
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opt = opt_save;
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}
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useLastLine = false;
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switch (opt)
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{
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case CParser::OPT_EOF:
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@ -184,7 +185,6 @@ cxxSSassemblage::read_raw(CParser & parser, bool check)
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error_msg("Unknown input in SOLID_SOLUTIONS_RAW or SOLID_SOLUTIONS_MODIFY keyword.",
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PHRQ_io::OT_CONTINUE);
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parser.error_msg(parser.line().c_str(), PHRQ_io::OT_CONTINUE);
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useLastLine = false;
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break;
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case 0: // solid_solution
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@ -469,7 +469,7 @@ calc_PR(void)
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{
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V_m = gas_phase_ptr->Get_volume() / m_sum;
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P = R_TK / (V_m - b_sum) - a_aa_sum / (V_m * (V_m + 2 * b_sum) - b2);
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if (iterations > 0 && P < 150)
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if (iterations > 0 && P < 150 && V_m < 1.01)
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{
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// check for 3-roots...
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r3[1] = b_sum - R_TK / P;
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@ -4421,7 +4421,7 @@ calc_PR(std::vector<struct phase *> phase_ptrs, LDBLE P, LDBLE TK, LDBLE V_m)
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if (V_m)
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{
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P = R_TK / (V_m - b_sum) - a_aa_sum / (V_m * (V_m + 2 * b_sum) - b2);
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if (iterations > 0 && P < 150)
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if (iterations > 0 && P < 150 && V_m < 1.01)
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{
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// check for 3-roots...
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r3[1] = b_sum - R_TK / P;
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@ -578,11 +578,11 @@ read_exchange_species(void)
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"add_logk", /* 16 */
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"add_log_k", /* 17 */
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"add_constant", /* 18 */
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"delta_v", /* 19 */
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"deltav", /* 20 */
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"vm" /* 21, molar volume, must replace delta_v */
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//"delta_v", /* 19 */
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//"deltav", /* 20 */
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"vm" /* 19, molar volume, must replace delta_v */
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};
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int count_opt_list = 22;
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int count_opt_list = 18;
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association = TRUE;
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s_ptr = NULL;
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@ -889,9 +889,9 @@ read_exchange_species(void)
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s_ptr->count_add_logk++;
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opt_save = OPTION_DEFAULT;
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break;
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case 19: /* delta_v */
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case 20: /* deltav */
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case 21: /* vm, molar volume */
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//case 19: /* delta_v */
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//case 20: /* deltav */
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case 19: /* vm, molar volume */
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if (s_ptr == NULL)
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{
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error_string = sformatf(
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@ -3024,7 +3024,7 @@ read_delta_v_only(char *ptr, LDBLE * delta_v, DELTA_V_UNIT * units)
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/*
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* Read analytical expression
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*/
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for (j = 0; j < 8; j++)
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for (j = 0; j < 4; j++)
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{
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delta_v[j] = 0.0;
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}
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@ -3064,17 +3064,15 @@ read_delta_v_only(char *ptr, LDBLE * delta_v, DELTA_V_UNIT * units)
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else if (strstr(token, "dm3") != NULL)
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{
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/* Convert dm3/mol to cm3/mol */
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//*delta_v *= 1E3;
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factor = 1e3;
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}
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else if (strstr(token, "m3") != NULL)
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{
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/* Convert m3/mol to cm3/mol */
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//*delta_v *= 1E6;
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factor = 1e6;
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}
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for (int i = 0; i < 8; i++)
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for (int i = 0; i < 4; i++)
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{
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delta_v[i] *= factor;
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}
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@ -3654,11 +3652,11 @@ read_phases(void)
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"t_c", /* 12 */
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"p_c", /* 13 */
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"omega", /* 14 */
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"delta_v", /* 15 */
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"deltav", /* 16 */
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"vm" /* 17, molar volume, must replace delta_v */
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//"delta_v", /* 15 */
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//"deltav", /* 16 */
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"vm" /* 15, molar volume, must replace delta_v */
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};
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int count_opt_list = 18;
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int count_opt_list = 16;
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association = FALSE;
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/*
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@ -3827,9 +3825,9 @@ read_phases(void)
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read_omega_only(next_char, &phase_ptr->omega);
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opt_save = OPTION_DEFAULT;
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break;
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case 15: /* delta_v */
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case 16: /* delta_v */
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case 17: /* vm, molar volume */
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//case 15: /* delta_v */
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//case 16: /* delta_v */
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case 15: /* vm, molar volume */
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if (phase_ptr == NULL)
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break;
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//read_delta_v_only(next_char, &phase_ptr->delta_v[1],
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@ -5548,11 +5546,11 @@ read_species(void)
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/* VP: Density Start */
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"millero", /* 21 */
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/* VP: Density End */
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"delta_v", /* 22 */
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"deltav", /* 23 */
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"vm" /* 24, molar volume, must replace delta_v */
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//"delta_v", /* 22 */
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//"deltav", /* 23 */
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"vm" /* 22, molar volume, must replace delta_v */
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};
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int count_opt_list = 25;
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int count_opt_list = 23;
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association = TRUE;
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s_ptr = NULL;
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@ -5567,8 +5565,8 @@ read_species(void)
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if (opt == OPTION_DEFAULT)
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{
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opt = opt_save;
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vm_read = false;
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}
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vm_read = false;
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switch (opt)
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{
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case OPTION_EOF: /* end of file */
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@ -5903,9 +5901,9 @@ read_species(void)
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break;
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/* VP: Density End */
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case 22: /* delta_v */
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case 23: /* deltav */
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case 24: /* vm, molar volume */
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//case 22: /* delta_v */
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//case 23: /* deltav */
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case 22: /* vm, molar volume */
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if (s_ptr == NULL)
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{
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error_string = sformatf(
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@ -6296,11 +6294,11 @@ read_surface_species(void)
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"add_constant", /* 15 */
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"cd_music", /* 16 */
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"music", /* 17 */
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"delta_v", /* 18 */
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"deltav", /* 19 */
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"vm"
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//"delta_v", /* 18 */
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//"deltav", /* 19 */
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"vm" /* 18 */
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};
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int count_opt_list = 21;
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int count_opt_list = 19;
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association = TRUE;
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/*
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@ -6572,9 +6570,9 @@ read_surface_species(void)
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}
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opt_save = OPTION_DEFAULT;
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break;
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case 18: /* delta_v */
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case 19: /* deltav */
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case 20: /* vm, molar volume */
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//case 18: /* delta_v */
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//case 19: /* deltav */
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case 18: /* vm, molar volume */
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if (s_ptr == NULL)
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{
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error_string = sformatf(
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@ -10702,11 +10700,11 @@ read_named_logk(void)
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"ln_alpha1000", /* 7 */
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"add_logk", /* 8 */
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"add_log_k", /* 9 */
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"delta_v", /* 10 */
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"deltav", /* 11 */
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"vm"
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//"delta_v", /* 10 */
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//"deltav", /* 11 */
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"vm" /* 10 */
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};
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int count_opt_list = 13;
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int count_opt_list = 11;
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logk_ptr = NULL;
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/*
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* Read name followed by options
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@ -10868,9 +10866,9 @@ read_named_logk(void)
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logk_ptr->count_add_logk++;
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opt_save = OPTION_DEFAULT;
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break;
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case 10: /* delta_v */
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case 11: /* deltav */
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case 12: /* vm, molar volume */
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//case 10: /* delta_v */
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//case 11: /* deltav */
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case 10: /* vm, molar volume */
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if (logk_ptr == NULL)
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{
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error_string = sformatf(
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