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/dports/science/nwchem-data/nwchem-7.0.2-release/contrib/python/
H A DXrtdb.py88 ma_type = INT
90 ma_type = DBL
92 ma_type = LOGICAL
94 ma_type = 1000
324 if (ma_type == INT):
326 elif (ma_type == DBL):
328 elif (ma_type == LOGICAL):
342 if (ma_type == INT):
344 elif (ma_type == DBL):
362 if (ma_type == INT):
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/python/
H A DXrtdb.py88 ma_type = INT
90 ma_type = DBL
92 ma_type = LOGICAL
94 ma_type = 1000
324 if (ma_type == INT):
326 elif (ma_type == DBL):
328 elif (ma_type == LOGICAL):
342 if (ma_type == INT):
344 elif (ma_type == DBL):
362 if (ma_type == INT):
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/util/
H A Dga_extra.F20 integer ma_type, dim1, dim2, n
26 call ga_inquire(g_a, ma_type, dim1, dim2)
27 if (ma_type.eq.mt_dbl) then
28 else if (ma_type.eq.mt_dcpl) then
41 if (ma_type.eq.MT_DBL) then
49 else if (ma_type.eq.MT_DCPL) then
82 integer ma_type, dim1, dim2, n
129 integer ma_type, dim1, dim2, n
176 integer ma_type, dim1, dim2, n
220 integer ma_type, dim1, dim2, n
[all …]
H A Decce_print.c23 const char *ma_typename(const int ma_type);
159 const char *typename = ma_typename(ma_type); in ecce_print1()
167 ma_type, key); in ecce_print1()
175 ma_print(ecce_file, ma_type, dim1, data); in ecce_print1()
184 void ecce_print2(const char *key, int ma_type, in ecce_print2() argument
188 const char *typename = ma_typename(ma_type); in ecce_print2()
190 int typesize = MA_sizeof(ma_type, 1, MT_C_CHAR); in ecce_print2()
197 ma_type, key); in ecce_print2()
205 ma_print(ecce_file, ma_type, dim1, (void *) cdata); in ecce_print2()
419 void FATR ecce_print2_(_fcd f, Integer *ma_type, argument
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/util/
H A Dga_extra.F20 integer ma_type, dim1, dim2, n
26 call ga_inquire(g_a, ma_type, dim1, dim2)
27 if (ma_type.eq.mt_dbl) then
28 else if (ma_type.eq.mt_dcpl) then
41 if (ma_type.eq.MT_DBL) then
49 else if (ma_type.eq.MT_DCPL) then
82 integer ma_type, dim1, dim2, n
129 integer ma_type, dim1, dim2, n
176 integer ma_type, dim1, dim2, n
220 integer ma_type, dim1, dim2, n
[all …]
H A Decce_print.c23 const char *ma_typename(const int ma_type);
159 const char *typename = ma_typename(ma_type); in ecce_print1()
167 ma_type, key); in ecce_print1()
175 ma_print(ecce_file, ma_type, dim1, data); in ecce_print1()
184 void ecce_print2(const char *key, int ma_type, in ecce_print2() argument
188 const char *typename = ma_typename(ma_type); in ecce_print2()
190 int typesize = MA_sizeof(ma_type, 1, MT_C_CHAR); in ecce_print2()
197 ma_type, key); in ecce_print2()
205 ma_print(ecce_file, ma_type, dim1, (void *) cdata); in ecce_print2()
419 void FATR ecce_print2_(_fcd f, Integer *ma_type, argument
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/input/
H A Dinput_set.F12 integer ma_type
40 ma_type = -1
97 ma_type = ma_types(ind)
115 if ( ma_type .eq. mt_int) then
127 elseif (ma_type .eq. mt_dbl .or. ma_type .eq. mt_log) then
134 if (ma_type .eq. mt_dbl) then
168 if (ma_type .eq. mt_int) then
171 else if (ma_type .eq. mt_dbl) then
174 else if (ma_type .eq. mt_log) then
184 if ( ma_type .eq. mt_int .or. ma_type .eq. mt_dbl
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/input/
H A Dinput_set.F12 integer ma_type
40 ma_type = -1
97 ma_type = ma_types(ind)
115 if ( ma_type .eq. mt_int) then
127 elseif (ma_type .eq. mt_dbl .or. ma_type .eq. mt_log) then
134 if (ma_type .eq. mt_dbl) then
168 if (ma_type .eq. mt_int) then
171 else if (ma_type .eq. mt_dbl) then
174 else if (ma_type .eq. mt_log) then
184 if ( ma_type .eq. mt_int .or. ma_type .eq. mt_dbl
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/rtdb/
H A Dinteract.c53 int rtdb = -1, ma_type, nelem; in main() local
120 if (!rtdb_seq_get_info(rtdb, name, &ma_type, &nelem, date)) in main()
124 name, ma_typename(ma_type), nelem, date); in main()
142 ma_type = MT_INT; in main()
150 ma_type = MT_CHAR; in main()
158 ma_type = MT_DBL; in main()
168 if(!rtdb_seq_put(rtdb, name, ma_type, nelem, data)) in main()
170 nelem, ma_typename(ma_type)); fflush(stdout); in main()
182 if(rtdb_seq_ma_get(rtdb, name, &ma_type, &nelem, &ma_handle)) { in main()
183 ma_print(stdout, ma_type, nelem, MA_get_pointer(ma_handle, &data)); in main()
H A Drtdbtest.c66 int ma_type, nelem; in main() local
69 if (!rtdb_get_info(rtdb, names[n], &ma_type, &nelem, date)) in main()
73 names[n], nelem, ma_type, date); in main()
86 int ma_type, nelem, ma_handle; in main() local
89 if (!rtdb_ma_get(rtdb, name, &ma_type, &nelem, &ma_handle)) in main()
96 NODEID_(), name, ma_type, nelem); in main()
97 ma_print(stdout, ma_type, nelem, data); in main()
H A Drtdb_seq.c70 int ma_type; member
117 switch (ma_type) { in ma_print()
240 const char *ma_typename(const int ma_type) in ma_typename() argument
242 switch (ma_type) { in ma_typename()
755 int ma_type; local
765 printf("%15s[%d]", ma_typename(ma_type), nelem);
787 ma_print(stdout, ma_type, nelem, data);
832 info.ma_type = ma_type;
940 *ma_type = info.ma_type;
1061 if (ma_type_from_db != ma_type) {
[all …]
H A Drtdb.c82 static void rtdb_broadcast(const int msg_type, const int ma_type, in rtdb_broadcast() argument
89 Integer len = MA_sizeof(ma_type, nelem, MT_CHAR); in rtdb_broadcast()
283 int rtdb_put(const int handle, const char *name, const int ma_type, in rtdb_put() argument
311 status = rtdb_seq_put(handle, name, ma_type, nelem, array); in rtdb_put()
334 int rtdb_get(const int handle, const char *name, const int ma_type, in rtdb_get() argument
362 status = rtdb_seq_get(handle, name, ma_type, nelem, array); in rtdb_get()
380 const char *name, int *ma_type, int *nelem, char date[26]) in rtdb_get_info() argument
407 status = rtdb_seq_get_info(handle, name, ma_type, nelem, date); in rtdb_get_info()
439 int rtdb_ma_get(const int handle, const char *name, int *ma_type, in rtdb_ma_get() argument
475 rtdb_broadcast(TYPE_RTDB_TYPE, MT_INT, 1, (void *) ma_type); in rtdb_ma_get()
[all …]
H A Drtdb.fh35 c logical function rtdb_put(handle, name, ma_type, nelem, array)
38 c integer ma_type [input]
40 c <ma_type>array(nelem) [input]
42 c logical function rtdb_get_info(handle, name, ma_type, nelem, date)
45 c integer ma_type [output]
49 c logical function rtdb_get(handle, name, ma_type, nelem, array)
52 c integer ma_type [input]
54 c <ma_type>array(nelem) [output]
56 c logical function rtdb_ma_get(handle, name, ma_type, nelem, ma_handle)
59 c integer ma_type [output]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/rtdb/
H A Dinteract.c53 int rtdb = -1, ma_type, nelem; in main() local
120 if (!rtdb_seq_get_info(rtdb, name, &ma_type, &nelem, date)) in main()
124 name, ma_typename(ma_type), nelem, date); in main()
142 ma_type = MT_INT; in main()
150 ma_type = MT_CHAR; in main()
158 ma_type = MT_DBL; in main()
168 if(!rtdb_seq_put(rtdb, name, ma_type, nelem, data)) in main()
170 nelem, ma_typename(ma_type)); fflush(stdout); in main()
182 if(rtdb_seq_ma_get(rtdb, name, &ma_type, &nelem, &ma_handle)) { in main()
183 ma_print(stdout, ma_type, nelem, MA_get_pointer(ma_handle, &data)); in main()
H A Drtdbtest.c66 int ma_type, nelem; in main() local
69 if (!rtdb_get_info(rtdb, names[n], &ma_type, &nelem, date)) in main()
73 names[n], nelem, ma_type, date); in main()
86 int ma_type, nelem, ma_handle; in main() local
89 if (!rtdb_ma_get(rtdb, name, &ma_type, &nelem, &ma_handle)) in main()
96 NODEID_(), name, ma_type, nelem); in main()
97 ma_print(stdout, ma_type, nelem, data); in main()
H A Drtdb_seq.c67 int ma_type; member
114 switch (ma_type) { in ma_print()
237 const char *ma_typename(const int ma_type) in ma_typename() argument
239 switch (ma_type) { in ma_typename()
752 int ma_type; local
762 printf("%15s[%d]", ma_typename(ma_type), nelem);
784 ma_print(stdout, ma_type, nelem, data);
829 info.ma_type = ma_type;
937 *ma_type = info.ma_type;
1058 if (ma_type_from_db != ma_type) {
[all …]
H A Drtdb.c82 static void rtdb_broadcast(const int msg_type, const int ma_type, in rtdb_broadcast() argument
89 Integer len = MA_sizeof(ma_type, nelem, MT_CHAR); in rtdb_broadcast()
283 int rtdb_put(const int handle, const char *name, const int ma_type, in rtdb_put() argument
311 status = rtdb_seq_put(handle, name, ma_type, nelem, array); in rtdb_put()
334 int rtdb_get(const int handle, const char *name, const int ma_type, in rtdb_get() argument
362 status = rtdb_seq_get(handle, name, ma_type, nelem, array); in rtdb_get()
380 const char *name, int *ma_type, int *nelem, char date[26]) in rtdb_get_info() argument
407 status = rtdb_seq_get_info(handle, name, ma_type, nelem, date); in rtdb_get_info()
439 int rtdb_ma_get(const int handle, const char *name, int *ma_type, in rtdb_ma_get() argument
475 rtdb_broadcast(TYPE_RTDB_TYPE, MT_INT, 1, (void *) ma_type); in rtdb_ma_get()
[all …]
H A Drtdb.fh35 c logical function rtdb_put(handle, name, ma_type, nelem, array)
38 c integer ma_type [input]
40 c <ma_type>array(nelem) [input]
42 c logical function rtdb_get_info(handle, name, ma_type, nelem, date)
45 c integer ma_type [output]
49 c logical function rtdb_get(handle, name, ma_type, nelem, array)
52 c integer ma_type [input]
54 c <ma_type>array(nelem) [output]
56 c logical function rtdb_ma_get(handle, name, ma_type, nelem, ma_handle)
59 c integer ma_type [output]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-rtdb/
H A Dsrtdb_seq.c67 int ma_type; member
512 switch (ma_type) { in srtdb_ma_print()
636 const char *srtdb_ma_typename(const int ma_type) in srtdb_ma_typename() argument
638 switch (ma_type) { in srtdb_ma_typename()
726 int ma_type; in srtdb_seq_print() local
758 srtdb_ma_print(stdout, ma_type, nelem, data); in srtdb_seq_print()
800 info.ma_type = ma_type; in srtdb_seq_put_info()
904 *ma_type = info.ma_type; in srtdb_seq_get_info()
959 if (!srtdb_seq_put_info(handle, name, ma_type, nelem)) in srtdb_seq_put()
1025 if (ma_type_from_db != ma_type) { in srtdb_seq_get()
[all …]
H A Dsrtdb.fh35 c logical function srtdb_put(handle, name, ma_type, nelem, array)
38 c integer ma_type [input]
40 c <ma_type>array(nelem) [input]
42 c logical function srtdb_get_info(handle, name, ma_type, nelem, date)
45 c integer ma_type [output]
49 c logical function srtdb_get(handle, name, ma_type, nelem, array)
52 c integer ma_type [input]
54 c <ma_type>array(nelem) [output]
56 c logical function srtdb_ma_get(handle, name, ma_type, nelem, ma_handle)
59 c integer ma_type [output]
H A Dsrtdb.c55 int srtdb_put(const int handle, const char *name, const int ma_type, in srtdb_put() argument
67 status = srtdb_seq_put(handle, name, ma_type, nelem, array); in srtdb_put()
73 int srtdb_get(const int handle, const char *name, const int ma_type, in srtdb_get() argument
84 status = srtdb_seq_get(handle, name, ma_type, nelem, array); in srtdb_get()
90 const char *name, int *ma_type, int *nelem, char date[26]) in srtdb_get_info() argument
100 status = srtdb_seq_get_info(handle, name, ma_type, nelem, date); in srtdb_get_info()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-rtdb/
H A Dsrtdb_seq.c67 int ma_type; member
512 switch (ma_type) { in srtdb_ma_print()
636 const char *srtdb_ma_typename(const int ma_type) in srtdb_ma_typename() argument
638 switch (ma_type) { in srtdb_ma_typename()
726 int ma_type; in srtdb_seq_print() local
758 srtdb_ma_print(stdout, ma_type, nelem, data); in srtdb_seq_print()
800 info.ma_type = ma_type; in srtdb_seq_put_info()
904 *ma_type = info.ma_type; in srtdb_seq_get_info()
959 if (!srtdb_seq_put_info(handle, name, ma_type, nelem)) in srtdb_seq_put()
1025 if (ma_type_from_db != ma_type) { in srtdb_seq_get()
[all …]
H A Dsrtdb.fh35 c logical function srtdb_put(handle, name, ma_type, nelem, array)
38 c integer ma_type [input]
40 c <ma_type>array(nelem) [input]
42 c logical function srtdb_get_info(handle, name, ma_type, nelem, date)
45 c integer ma_type [output]
49 c logical function srtdb_get(handle, name, ma_type, nelem, array)
52 c integer ma_type [input]
54 c <ma_type>array(nelem) [output]
56 c logical function srtdb_ma_get(handle, name, ma_type, nelem, ma_handle)
59 c integer ma_type [output]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/bq/
H A Dbq_rtdb.F182 integer ma_type,n
221 if(.not. rtdb_ma_get(irtdb,tag,ma_type,n,h_c))
225 if(ma_type.ne.MT_DBL) call errquit(
226 & pname//' illegal type for coord',ma_type,MA_ERR)
230 if(.not. rtdb_ma_get(irtdb,tag,ma_type,n,h_q))
234 if(ma_type.ne.MT_DBL) call errquit(
235 & pname//' illegal type for charge',ma_type,MA_ERR)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/bq/
H A Dbq_rtdb.F182 integer ma_type,n
221 if(.not. rtdb_ma_get(irtdb,tag,ma_type,n,h_c))
225 if(ma_type.ne.MT_DBL) call errquit(
226 & pname//' illegal type for coord',ma_type,MA_ERR)
230 if(.not. rtdb_ma_get(irtdb,tag,ma_type,n,h_q))
234 if(ma_type.ne.MT_DBL) call errquit(
235 & pname//' illegal type for charge',ma_type,MA_ERR)

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