Révision 8 src/Io_module.f90
| Io_module.f90 (revision 8) | ||
|---|---|---|
| 8 | 8 |
SAVE |
| 9 | 9 |
|
| 10 | 10 |
INTEGER(KINT) :: IOIN=11, IOOUT=12, IOCART=14 |
| 11 |
INTEGER(KINT) :: IOGEOM=15, IODAT=16 |
|
| 11 |
INTEGER(KINT) :: IOGEOM=15, IODAT=16,IoGplot=17
|
|
| 12 | 12 |
INTEGER(KINT), PARAMETER :: IOTMP=21,IOTMP2=22, IOTMP3=23 |
| 13 | 13 |
INTEGER(KINT), PARAMETER :: IOERR=19 |
| 14 | 14 |
CHARACTER(SCHARS) :: RunMode |
| ... | ... | |
| 19 | 19 |
! |
| 20 | 20 |
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! |
| 21 | 21 |
|
| 22 |
REAL(KREAL), PARAMETER :: ev2au= 0.036749324445d0 |
|
| 22 |
REAL(KREAL), PARAMETER :: au2eV=27.21183d0 |
|
| 23 |
REAL(KREAL), PARAMETER :: ev2au= 1.d0/au2eV |
|
| 24 |
REAL(KREAL), PARAMETER :: au2kcal=627.509608d0 |
|
| 25 |
REAL(KREAL), PARAMETER :: eV2kcal=23.06035d0 |
|
| 23 | 26 |
|
| 24 | 27 |
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! |
| 25 | 28 |
! |
| ... | ... | |
| 106 | 109 |
! OSuffix: suffix for the output file. |
| 107 | 110 |
CHARACTER(LCHARS) :: OSuffix |
| 108 | 111 |
|
| 112 |
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! |
|
| 113 |
! |
|
| 114 |
! For printing energies |
|
| 115 |
! |
|
| 116 |
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! |
|
| 117 |
! Name of the unit used by internally by the 'engine' program |
|
| 118 |
CHARACTER(SCHARS) :: UnitProg="au" |
|
| 119 |
! Conversion factor from energy program to kcal/mol |
|
| 120 |
REAL(KREAL) :: ConvE |
|
| 109 | 121 |
|
| 110 | 122 |
END MODULE IO_MODULE |
Formats disponibles : Unified diff