/dports/science/nwchem-data/nwchem-7.0.2-release/contrib/python/ |
H A D | Xrtdb.py | 88 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/python/ |
H A D | Xrtdb.py | 88 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/util/ |
H A D | ga_extra.F | 20 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 …]
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H A D | ecce_print.c | 23 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/util/ |
H A D | ga_extra.F | 20 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 …]
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H A D | ecce_print.c | 23 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/input/ |
H A D | input_set.F | 12 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/input/ |
H A D | input_set.F | 12 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/rtdb/ |
H A D | interact.c | 53 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()
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H A D | rtdbtest.c | 66 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()
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H A D | rtdb_seq.c | 70 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 …]
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H A D | rtdb.c | 82 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 …]
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H A D | rtdb.fh | 35 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]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/rtdb/ |
H A D | interact.c | 53 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()
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H A D | rtdbtest.c | 66 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()
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H A D | rtdb_seq.c | 67 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 …]
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H A D | rtdb.c | 82 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 …]
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H A D | rtdb.fh | 35 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]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/smd/graveyard/smd-rtdb/ |
H A D | srtdb_seq.c | 67 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 …]
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H A D | srtdb.fh | 35 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]
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H A D | srtdb.c | 55 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()
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/smd/graveyard/smd-rtdb/ |
H A D | srtdb_seq.c | 67 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 …]
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H A D | srtdb.fh | 35 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]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/bq/ |
H A D | bq_rtdb.F | 182 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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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/bq/ |
H A D | bq_rtdb.F | 182 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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