| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/src/generic/ |
| H A D | vcap.c | 59 VPUBLIC double Vcap_exp(double x, int *ichop) { in Vcap_exp() argument
63 (*ichop) = 1; in Vcap_exp()
66 (*ichop) = 1; in Vcap_exp()
71 (*ichop) = 0; in Vcap_exp()
75 VPUBLIC double Vcap_sinh(double x, int *ichop) { in Vcap_sinh() argument
79 (*ichop) = 1; in Vcap_sinh()
82 (*ichop) = 1; in Vcap_sinh()
87 (*ichop) = 0; in Vcap_sinh()
95 (*ichop) = 1; in Vcap_cosh()
98 (*ichop) = 1; in Vcap_cosh()
[all …]
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| H A D | vcap.h | 101 int *ichop /**< Set to 1 if function capped, 0 otherwise */
125 int *ichop /**< Set to 1 if function capped, 0 otherwise */
148 int *ichop /**< Set to 1 if function capped, 0 otherwise */
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| /dports/science/tinker/tinker/apbs/include/linux/apbs/ |
| H A D | vcap.h | 91 int *ichop /**< Set to 1 if function capped, 0 otherwise */
115 int *ichop /**< Set to 1 if function capped, 0 otherwise */
138 int *ichop /**< Set to 1 if function capped, 0 otherwise */
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| /dports/science/tinker/tinker/apbs/include/macos/apbs/ |
| H A D | vcap.h | 91 int *ichop /**< Set to 1 if function capped, 0 otherwise */
115 int *ichop /**< Set to 1 if function capped, 0 otherwise */
138 int *ichop /**< Set to 1 if function capped, 0 otherwise */
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/src/fem/ |
| H A D | vfetk.c | 1574 int i, j, ichop; in Vfetk_PDE_initPoint() local
1622 var.B += (coef2 * Vcap_exp(u2, &ichop)); in Vfetk_PDE_initPoint()
1625 var.DB += (coef2 * Vcap_exp(u2, &ichop)); in Vfetk_PDE_initPoint()
1645 var.B += (coef2 * Vcap_exp(u2, &ichop)); in Vfetk_PDE_initPoint()
1649 var.DB += (coef2 * Vcap_exp(u2, &ichop)); in Vfetk_PDE_initPoint()
1664 var.B += (coef2 * Vcap_exp(u2, &ichop)); in Vfetk_PDE_initPoint()
2005 int i, ichop; in Vfetk_PDE_Ju() local
2301 int i, j, ichop; in Vfetk_fillArray() local
2395 ichop = 0; in Vfetk_fillArray()
2419 ichop = 0; in Vfetk_fillArray()
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ |
| H A D | tce_mo2e_2emet4.F | 149 if(ichop.gt.100)
156 idivchop=taskl/ichop
157 do ii=1,ichop
158 if(ii.lt.ichop) then
182 do igo=1,ichop
197 do igo=1,ichop ! ---------------------------------------------
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| H A D | tce_mo2e_2emet4_n5.F | 149 if(ichop.gt.100)
156 idivchop=taskl/ichop
157 do ii=1,ichop
158 if(ii.lt.ichop) then
182 do igo=1,ichop
197 do igo=1,ichop ! ---------------------------------------------
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| H A D | tce_mo2e_zones_4a_disk_ga_chop.F | 151 if(ichop.gt.100)
158 idivchop=taskl/ichop
159 do ii=1,ichop
160 if(ii.lt.ichop) then
184 do igo=1,ichop
199 do igo=1,ichop ! ---------------------------------------------
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| H A D | tce_mo2e_zones_4a_disk_ga_chop_N5.F | 158 if(ichop.gt.100)
165 idivchop=taskl/ichop
166 do ii=1,ichop
167 if(ii.lt.ichop) then
191 do igo=1,ichop
222 do igo=1,ichop ! ---------------------------------------------
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| H A D | tce_mo2e_zones_4a_disk_ga_chop_act.F | 161 if(ichop.gt.100)
168 idivchop=taskl/ichop
169 do ii=1,ichop
170 if(ii.lt.ichop) then
194 do igo=1,ichop
225 do igo=1,ichop ! ---------------------------------------------
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| H A D | tce_init_new.F | 235 if (.not.rtdb_get(rtdb,'tce:ichopx',mt_int,1,ichop)) then
236 ichop = 1
237 if (.not.rtdb_put(rtdb,'tce:ichopx',mt_int,1,ichop))
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| H A D | tce_init.F | 398 if (.not.rtdb_get(rtdb,'tce:ichopx',mt_int,1,ichop)) then
399 ichop = 1
400 if (.not.rtdb_put(rtdb,'tce:ichopx',mt_int,1,ichop))
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ |
| H A D | tce_mo2e_2emet4.F | 149 if(ichop.gt.100)
156 idivchop=taskl/ichop
157 do ii=1,ichop
158 if(ii.lt.ichop) then
182 do igo=1,ichop
197 do igo=1,ichop ! ---------------------------------------------
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| H A D | tce_mo2e_2emet4_n5.F | 149 if(ichop.gt.100)
156 idivchop=taskl/ichop
157 do ii=1,ichop
158 if(ii.lt.ichop) then
182 do igo=1,ichop
197 do igo=1,ichop ! ---------------------------------------------
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| H A D | tce_mo2e_zones_4a_disk_ga_chop.F | 151 if(ichop.gt.100)
158 idivchop=taskl/ichop
159 do ii=1,ichop
160 if(ii.lt.ichop) then
184 do igo=1,ichop
199 do igo=1,ichop ! ---------------------------------------------
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| H A D | tce_mo2e_zones_4a_disk_ga_chop_N5.F | 158 if(ichop.gt.100)
165 idivchop=taskl/ichop
166 do ii=1,ichop
167 if(ii.lt.ichop) then
191 do igo=1,ichop
222 do igo=1,ichop ! ---------------------------------------------
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| H A D | tce_mo2e_zones_4a_disk_ga_chop_act.F | 161 if(ichop.gt.100)
168 idivchop=taskl/ichop
169 do ii=1,ichop
170 if(ii.lt.ichop) then
194 do igo=1,ichop
225 do igo=1,ichop ! ---------------------------------------------
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| H A D | tce_init_new.F | 235 if (.not.rtdb_get(rtdb,'tce:ichopx',mt_int,1,ichop)) then
236 ichop = 1
237 if (.not.rtdb_put(rtdb,'tce:ichopx',mt_int,1,ichop))
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| H A D | tce_init.F | 398 if (.not.rtdb_get(rtdb,'tce:ichopx',mt_int,1,ichop)) then
399 ichop = 1
400 if (.not.rtdb_put(rtdb,'tce:ichopx',mt_int,1,ichop))
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/include/ |
| H A D | tce_main.fh | 119 integer idisk,fast2e,ichop,imaxsize
158 3 idisk,fast2e,ichop,imaxsize,l_mo_index, k_mo_index,
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/include/ |
| H A D | tce_main.fh | 119 integer idisk,fast2e,ichop,imaxsize
158 3 idisk,fast2e,ichop,imaxsize,l_mo_index, k_mo_index,
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| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/tce_2emet_all/ |
| H A D | tce_2emet_all.out | 702 imaxsize ichop = 0
910 imaxsize ichop = 0
1120 imaxsize ichop = 0
1327 imaxsize ichop = 0
1536 imaxsize ichop = 0
1762 imaxsize ichop = 0
1991 imaxsize ichop = 0
2198 imaxsize ichop = 0
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| H A D | tce_2emet_rohf.out | 717 imaxsize ichop = 0
924 imaxsize ichop = 0
1133 imaxsize ichop = 0
1339 imaxsize ichop = 0
1547 imaxsize ichop = 0
1772 imaxsize ichop = 0
2000 imaxsize ichop = 0
2206 imaxsize ichop = 0
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/tce_2emet_all/ |
| H A D | tce_2emet_all.out | 702 imaxsize ichop = 0
910 imaxsize ichop = 0
1120 imaxsize ichop = 0
1327 imaxsize ichop = 0
1536 imaxsize ichop = 0
1762 imaxsize ichop = 0
1991 imaxsize ichop = 0
2198 imaxsize ichop = 0
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| H A D | tce_2emet_rohf.out | 717 imaxsize ichop = 0
924 imaxsize ichop = 0
1133 imaxsize ichop = 0
1339 imaxsize ichop = 0
1547 imaxsize ichop = 0
1772 imaxsize ichop = 0
2000 imaxsize ichop = 0
2206 imaxsize ichop = 0
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