public class QS extends Object
Modifier and Type | Field and Description |
---|---|
static String |
CANONICAL_DC_LIST |
static String |
CANONICAL_DS_LIST |
static String |
CANONICAL_FC_LIST |
static String |
CANONICAL_FS_LIST |
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 |
static int |
MAX_TYPE_SUPPORTED |
private static int |
MAXID |
static int |
P |
static int |
S |
static int |
SP |
static String[] |
tags |
static String[] |
tags2 |
Constructor and Description |
---|
QS() |
Modifier and Type | Method and Description |
---|---|
static boolean |
createDFMap(int[] map,
String fileList,
String jmolList,
int minLength) |
static int |
getItem(int i) |
static String |
getMOString(float[] lc) |
static int[][] |
getNewDfCoefMap() |
private static int |
getQuantumShell(String tag) |
static String |
getQuantumShellTag(int id) |
static int |
getQuantumShellTagID(String tag) |
static int |
getQuantumShellTagIDSpherical(String tag) |
static boolean |
isQuantumBasisSupported(char ch) |
void |
setNboLabels(String[] tokens,
int nLabels,
javajs.util.Lst<Map<String,Object>> orbitals,
int nOrbitals0,
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
public static int MAX_TYPE_SUPPORTED
private static final int MAXID
public static final int[] idSpherical
public static final String[] tags
public static final String[] tags2
public static final String CANONICAL_DC_LIST
public static final String CANONICAL_DS_LIST
public static final String CANONICAL_FC_LIST
public static final String CANONICAL_FS_LIST
public static boolean isQuantumBasisSupported(char ch)
public static int[][] getNewDfCoefMap()
public static int getItem(int i)
public static int getQuantumShellTagID(String tag)
private static int getQuantumShell(String tag)
public static final int getQuantumShellTagIDSpherical(String tag)
public static final String getQuantumShellTag(int id)
public static final String getMOString(float[] lc)
public void setNboLabels(String[] tokens, int nLabels, javajs.util.Lst<Map<String,Object>> orbitals, int nOrbitals0, String moType)