Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
Combining_Subpackages
Debian_Package_split
Debian_package_split_molecuildergui_only
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enable_parallel_make_install
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
FitPartialCharges_GlobalError
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_levmar
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
Rev | Line | |
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[0b990d] | 1 |
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| 2 | #ifndef util_class_psi3_libpsio_psio_gbl_
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| 3 | #define util_class_psi3_libpsio_psio_gbl_
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| 4 |
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| 5 | namespace psi3 {
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| 6 | namespace libpsio {
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| 7 |
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| 8 | #define PSIO_KEYLEN 80
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| 9 | #define PSIO_MAXVOL 8
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| 10 | #define PSIO_MAXUNIT 300
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| 11 | #define PSIO_MAXSTR 512
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| 12 | #define PSIO_PAGELEN 65536
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| 13 |
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| 14 | typedef unsigned long int ULI; /* For convenience */
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| 15 |
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| 16 | typedef struct {
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| 17 | ULI page; /* First page of entry */
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| 18 | ULI offset; /* Starting byte offset on fpage */
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| 19 | } psio_address;
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| 20 |
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| 21 | struct psio_entry {
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| 22 | char key[PSIO_KEYLEN];
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| 23 | psio_address sadd;
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| 24 | psio_address eadd;
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| 25 | struct psio_entry *next;
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| 26 | struct psio_entry *last;
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| 27 | };
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| 28 |
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| 29 | typedef struct psio_entry psio_tocentry;
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| 30 |
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| 31 | typedef struct {
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| 32 | char *path;
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| 33 | int stream;
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| 34 | } psio_vol;
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| 35 |
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| 36 | typedef struct {
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| 37 | ULI numvols;
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| 38 | psio_vol vol[PSIO_MAXVOL];
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| 39 | psio_address tocaddress;
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| 40 | ULI toclen;
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| 41 | psio_tocentry *toc;
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| 42 | } psio_ud;
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| 43 |
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| 44 | extern psio_ud *psio_unit;
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| 45 |
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| 46 | #define PSIO_ERROR_INIT 1
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| 47 | #define PSIO_ERROR_DONE 2
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| 48 | #define PSIO_ERROR_MAXVOL 3
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| 49 | #define PSIO_ERROR_NOVOLPATH 4
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| 50 | #define PSIO_ERROR_OPEN 5
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| 51 | #define PSIO_ERROR_REOPEN 6
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| 52 | #define PSIO_ERROR_CLOSE 7
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| 53 | #define PSIO_ERROR_RECLOSE 8
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| 54 | #define PSIO_ERROR_OSTAT 9
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| 55 | #define PSIO_ERROR_LSEEK 10
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| 56 | #define PSIO_ERROR_READ 11
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| 57 | #define PSIO_ERROR_WRITE 12
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| 58 | #define PSIO_ERROR_NOTOCENT 13
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| 59 | #define PSIO_ERROR_TOCENTSZ 14
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| 60 | #define PSIO_ERROR_KEYLEN 15
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| 61 | #define PSIO_ERROR_BLKSIZ 16
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| 62 | #define PSIO_ERROR_BLKSTART 17
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| 63 | #define PSIO_ERROR_BLKEND 18
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| 64 | #define PSIO_ERROR_IDENTVOLPATH 19
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| 65 |
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| 66 | #define PSIO_OPEN_NEW 0
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| 67 | #define PSIO_OPEN_OLD 1
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| 68 |
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| 69 | }
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| 70 | }
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| 71 |
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| 72 | #endif /* #ifndef PSIO_GBL */
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