3 using System.Runtime.InteropServices;
43 [DllImport (
"artemis")]
46 [DllImport (
"artemis")]
49 [DllImport (
"artemis")]
52 [DllImport (
"artemis")]
55 [DllImport (
"artemis")]
58 [DllImport (
"artemis")]
61 [DllImport (
"artemis")]
64 [DllImport (
"artemis")]
67 [DllImport (
"artemis")]
70 [DllImport (
"artemis")]
73 [DllImport (
"artemis")]
76 [DllImport (
"artemis")]
79 [DllImport (
"artemis")]
static int artemis_client_send_trate(ArtemisClientPointer client, int rate)
int tstep
integer timestep index
float Edihe
Dihedral energy, Kcal/mol.
static int artemis_client_destroy(ArtemisClientPointer client)
float Evdw
Van der Waals energy, in Kcal/mol.
static ArtemisClientPointer artemis_client_create(int nb_atoms)
static int artemis_client_connect(ArtemisClientPointer client, [In] string hostname, [In] int port)
float Ebond
Bond energy, Kcal/mol.
float Epot
Potential energy, in Kcal/mol.
float Etot
Total energy, in Kcal/mol.
static int artemis_client_send_go(ArtemisClientPointer client)
static int artemis_client_send_forces(ArtemisClientPointer client, int nb_forces, [In] int[] indexes, [In] float[] forces)
static int artemis_client_disconnect(ArtemisClientPointer client)
static int artemis_client_read_energies(ArtemisClientPointer client, ref ArtemisImdEnergies energies)
float T
Temperature in degrees Kelvin.
float Eelec
Electrostatic energy, in Kcal/mol.
static int artemis_client_read_header(ArtemisClientPointer client, ref ArtemisHeader header)
float Eangle
Angle energy, Kcal/mol.
static int artemis_client_read_coords(ArtemisClientPointer client, [In, Out] float[] coords, int nb_atoms)
static int artemis_client_receive(ArtemisClientPointer client)
static int artemis_client_send_kill(ArtemisClientPointer client)
static int artemis_client_send_pause(ArtemisClientPointer client)