public class QS
extends java.lang.Object
Modifier and Type | Field and Description |
---|---|
static int |
DC |
static int |
DS |
static int |
FC |
static int |
FS |
static int |
GC |
static int |
GS |
static int |
HC |
static int |
HS |
static int |
IC |
static int[] |
idSpherical |
static int |
IS |
private static int |
MAXID |
static int |
P |
static int |
S |
static int |
SP |
static java.lang.String[] |
tags |
static java.lang.String[] |
tags2 |
Constructor and Description |
---|
QS() |
Modifier and Type | Method and Description |
---|---|
static int |
getItem(int i) |
static java.lang.String |
getMOString(float[] lc) |
static int[][] |
getNewDfCoefMap() |
private static int |
getQuantumShell(java.lang.String tag) |
static java.lang.String |
getQuantumShellTag(int id) |
static int |
getQuantumShellTagID(java.lang.String tag) |
static int |
getQuantumShellTagIDSpherical(java.lang.String tag) |
static boolean |
isQuantumBasisSupported(char ch) |
void |
setNboLabels(java.lang.String[] tokens,
int nLabels,
javajs.util.Lst<java.util.Map<java.lang.String,java.lang.Object>> orbitals,
int nOrbitals0,
java.lang.String moType) |
public static final int S
public static final int P
public static final int SP
public static final int DS
public static final int DC
public static final int FS
public static final int FC
public static final int GS
public static final int GC
public static final int HS
public static final int HC
public static final int IS
public static final int IC
private static final int MAXID
public static final int[] idSpherical
public static final java.lang.String[] tags
public static final java.lang.String[] tags2
public static boolean isQuantumBasisSupported(char ch)
public static int[][] getNewDfCoefMap()
public static int getItem(int i)
public static int getQuantumShellTagID(java.lang.String tag)
private static int getQuantumShell(java.lang.String tag)
public static final int getQuantumShellTagIDSpherical(java.lang.String tag)
public static final java.lang.String getQuantumShellTag(int id)
public static final java.lang.String getMOString(float[] lc)
public void setNboLabels(java.lang.String[] tokens, int nLabels, javajs.util.Lst<java.util.Map<java.lang.String,java.lang.Object>> orbitals, int nOrbitals0, java.lang.String moType)