Enum Constant and Description |
---|
D_CARTESIAN |
D_SPHERICAL |
F_CARTESIAN |
F_SPHERICAL |
G_CARTESIAN |
G_SPHERICAL |
H_CARTESIAN |
H_SPHERICAL |
I_CARTESIAN |
I_SPHERICAL |
P |
S |
SP |
Modifier and Type | Field and Description |
---|---|
int |
id |
private int |
idSpherical |
static java.lang.String |
SUPPORTED_BASIS_FUNCTIONS |
java.lang.String |
tag |
private java.lang.String |
tag2 |
Modifier and Type | Method and Description |
---|---|
static QS |
getItem(int id) |
static java.lang.String |
getMOString(float[] lc) |
static int[][] |
getNewDfCoefMap() |
private static QS |
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 QS |
valueOf(java.lang.String name)
Returns the enum constant of this type with the specified name.
|
static QS[] |
values()
Returns an array containing the constants of this enum type, in
the order they are declared.
|
public static final QS S
public static final QS P
public static final QS SP
public static final QS D_SPHERICAL
public static final QS D_CARTESIAN
public static final QS F_SPHERICAL
public static final QS F_CARTESIAN
public static final QS G_SPHERICAL
public static final QS G_CARTESIAN
public static final QS H_SPHERICAL
public static final QS H_CARTESIAN
public static final QS I_SPHERICAL
public static final QS I_CARTESIAN
public static final java.lang.String SUPPORTED_BASIS_FUNCTIONS
public final java.lang.String tag
private final java.lang.String tag2
public final int id
private final int idSpherical
public static QS[] values()
for (QS c : QS.values()) System.out.println(c);
public static QS valueOf(java.lang.String name)
name
- the name of the enum constant to be returned.java.lang.IllegalArgumentException
- if this enum type has no constant
with the specified namejava.lang.NullPointerException
- if the argument is nullpublic static int[][] getNewDfCoefMap()
public static final int getQuantumShellTagID(java.lang.String tag)
private static QS getQuantumShell(java.lang.String tag)
public static final int getQuantumShellTagIDSpherical(java.lang.String tag)
public static QS getItem(int id)
public static final java.lang.String getQuantumShellTag(int id)
public static final java.lang.String getMOString(float[] lc)