| 6 | 
  | 
 * redistribute this software in source and binary code form, provided | 
| 7 | 
  | 
 * that the following conditions are met: | 
| 8 | 
  | 
 * | 
| 9 | 
< | 
 * 1. Acknowledgement of the program authors must be made in any | 
| 10 | 
< | 
 *    publication of scientific results based in part on use of the | 
| 11 | 
< | 
 *    program.  An acceptable form of acknowledgement is citation of | 
| 12 | 
< | 
 *    the article in which the program was described (Matthew | 
| 13 | 
< | 
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher | 
| 14 | 
< | 
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented | 
| 15 | 
< | 
 *    Parallel Simulation Engine for Molecular Dynamics," | 
| 16 | 
< | 
 *    J. Comput. Chem. 26, pp. 252-271 (2005)) | 
| 17 | 
< | 
 * | 
| 18 | 
< | 
 * 2. Redistributions of source code must retain the above copyright | 
| 9 | 
> | 
 * 1. Redistributions of source code must retain the above copyright | 
| 10 | 
  | 
 *    notice, this list of conditions and the following disclaimer. | 
| 11 | 
  | 
 * | 
| 12 | 
< | 
 * 3. Redistributions in binary form must reproduce the above copyright | 
| 12 | 
> | 
 * 2. Redistributions in binary form must reproduce the above copyright | 
| 13 | 
  | 
 *    notice, this list of conditions and the following disclaimer in the | 
| 14 | 
  | 
 *    documentation and/or other materials provided with the | 
| 15 | 
  | 
 *    distribution. | 
| 28 | 
  | 
 * arising out of the use of or inability to use software, even if the | 
| 29 | 
  | 
 * University of Notre Dame has been advised of the possibility of | 
| 30 | 
  | 
 * such damages. | 
| 31 | 
+ | 
 * | 
| 32 | 
+ | 
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your | 
| 33 | 
+ | 
 * research, please cite the appropriate papers when you publish your | 
| 34 | 
+ | 
 * work.  Good starting points are: | 
| 35 | 
+ | 
 *                                                                       | 
| 36 | 
+ | 
 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).              | 
| 37 | 
+ | 
 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).           | 
| 38 | 
+ | 
 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).           | 
| 39 | 
+ | 
 * [4]  Vardeman & Gezelter, in progress (2009).                         | 
| 40 | 
  | 
 */ | 
| 41 | 
  | 
  | 
| 42 | 
  | 
#include <stdlib.h> | 
| 59 | 
  | 
void initSimError( void ){ | 
| 60 | 
  | 
  painCave.errMsg[0] = '\0'; | 
| 61 | 
  | 
  painCave.isFatal = 0; | 
| 62 | 
< | 
  painCave.severity = OOPSE_ERROR; | 
| 62 | 
> | 
  painCave.severity = OPENMD_ERROR; | 
| 63 | 
  | 
  painCave.isEventLoop = 0; | 
| 64 | 
  | 
  nChecks = 0; | 
| 65 | 
  | 
#ifdef IS_MPI | 
| 76 | 
  | 
  char errorMsg[MAX_SIM_ERROR_MSG_LENGTH]; | 
| 77 | 
  | 
  char nodeMsg[MAX_SIM_ERROR_MSG_LENGTH]; | 
| 78 | 
  | 
   | 
| 79 | 
< | 
  strcpy(errorMsg, "OOPSE "); | 
| 79 | 
> | 
  strcpy(errorMsg, "OpenMD "); | 
| 80 | 
  | 
  switch( painCave.severity ) { | 
| 81 | 
< | 
  case OOPSE_WARNING: | 
| 82 | 
< | 
    strcat(errorMsg, "WARNING"); | 
| 81 | 
> | 
  case OPENMD_WARNING: | 
| 82 | 
> | 
    strcat(errorMsg, "warning"); | 
| 83 | 
  | 
    break; | 
| 84 | 
< | 
  case OOPSE_INFO: | 
| 85 | 
< | 
    strcat(errorMsg, "INFO"); | 
| 84 | 
> | 
  case OPENMD_INFO: | 
| 85 | 
> | 
    strcat(errorMsg, "info"); | 
| 86 | 
  | 
    break; | 
| 87 | 
  | 
  default: | 
| 88 | 
  | 
    if( painCave.isFatal ) { |