include/types/enums.h

   1 /*
   2  * $Id$
   3  *
   4  *       This source code is part of
   5  *
   6  *        G   R   O   M   A   C   S
   7  *
   8  * GROningen MAchine for Chemical Simulations
   9  *
  10  *               VERSION 2.0
  11  *
  12  * Copyright (c) 1991-1999
  13  * BIOSON Research Institute, Dept. of Biophysical Chemistry
  14  * University of Groningen, The Netherlands
  15  *
  16  * Please refer to:
  17  * GROMACS: A message-passing parallel molecular dynamics implementation
  18  * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
  19  * Comp. Phys. Comm. 91, 43-56 (1995)
  20  *
  21  * Also check out our WWW page:
  22  * http://md.chem.rug.nl/~gmx
  23  * or e-mail to:
  24  * gromacs@chem.rug.nl
  25  *
  26  * And Hey:
  27  * Green Red Orange Magenta Azure Cyan Skyblue
  28  */
  29
  30 /* note: these enums should correspond to the names in gmxlib/names.c */
  31
  32 enum {
  33   ebCGS,ebMOLS,ebSBLOCKS,ebNR
  34 };
  35
  36 enum {
  37   ebtRECT, ebtTRICLINIC, ebtNONE, ebtNR
  38 };
  39
  40 enum {
  41   epcNO, epcISOTROPIC, epcSEMIISOTROPIC, epcANISOTROPIC, epcTRICLINIC,
  42   epcSURFACETENSION, epcNR
  43 };
  44
  45 enum {
  46   eelCUT,     eelRF,     eelGRF,   eelPME,  eelEWALD,  eelPPPM,
  47   eelPOISSON, eelSWITCH, eelSHIFT, eelUSER, eelNR
  48 };
  49
  50 #define EEL_LR(e) ((e == eelPPPM) || (e == eelPOISSON) || (e ==  eelPME) || (e == eelEWALD))
  51
  52 enum {
  53   evdwCUT,    evdwSWITCH, evdwSHIFT, evdwUSER, evdwNR
  54 };
  55
  56 enum {
  57   ensGRID, ensSIMPLE, enNR
  58 };
  59
  60 enum {
  61   eiMD, eiSteep, eiCG, eiLD, eiNR
  62 };
  63
  64 enum {
  65   estLINCS, estSHAKE, estNR
  66 };
  67
  68 enum {
  69   edrNone, edrSimple, edrEnsemble, edrNR
  70 };
  71
  72 enum {
  73   edrwEqual, edrwConservative, edrwNR
  74 };
  75
  76 /* Combination rule things */
  77 enum {
  78   eCOMB_NONE, eCOMB_ARITHMETIC, eCOMB_GEOMETRIC, eCOMB_ARITH_SIG_EPS, eCOMB_NR
  79 };
  80
  81 /* NBF selection */
  82 enum {
  83   eNBF_NONE,  eNBF_LJ, eNBF_BHAM, eNBF_NR
  84 };
  85