| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/task/ |
| H A D | task_save_state.F | 71 if (oprint) then
190 if (oprint) then
200 if (oprint) then
206 if (oprint) then
247 if (oprint) then
392 555 if (oprint) then
420 logical oexist, oprint local
429 if (oprint) then
457 if (oprint) then
489 if (oprint) then
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/task/ |
| H A D | task_save_state.F | 71 if (oprint) then
190 if (oprint) then
200 if (oprint) then
206 if (oprint) then
247 if (oprint) then
392 555 if (oprint) then
420 logical oexist, oprint
429 if (oprint) then
457 if (oprint) then
489 if (oprint) then
[all …]
|
| /dports/devel/glib20/glib-2.70.4/glib/ |
| H A D | gtester-report.in | 237 def oprint (self, message):
294 self.oprint ('</tr>\n')
327 self.oprint ('<tr>')
341 self.oprint ('</tr>\n')
345 self.oprint (self.cssjs)
346 self.oprint ('</head>\n')
347 self.oprint ('<body>\n')
358 self.oprint ('</tr>\n')
362 self.oprint ('</table>\n')
363 self.oprint ('</body>\n')
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/hessian/analytic/ |
| H A D | hess_anal.F | 36 logical oprintsome, oprint, ohessprof
72 oprint = util_print('hess_follow',print_high)
73 oprint = oprint .and. (ga_nodeid().eq.0)
125 if (oprint) write(LuOut,*) 'HESS: after the task_energy call'
141 if (oprint) write(LuOut,*) 'HESS: before the hess_init call'
146 if (oprint) write(LuOut,*) 'HESS: before the onedd_cont call'
154 if (oprint) write(LuOut,*) 'HESS: before the nucdd_cont call'
185 if (oprint) write(LuOut,*) 'HESS: before the hess_cphf call'
191 if(oprint) call hess_print
204 if (oprint) write(LuOut,*) 'HESS: before the hess_tidy call'
[all …]
|
| H A D | hess_restart.F | 32 logical oprint, olprint
39 oprint = util_print('hess_follow',print_high)
40 olprint = (oprint.and.(ga_nodeid().eq.0))
42 olcphfprint = (oprint.and.(ga_nodeid().eq.0))
69 if (oprint) then
140 logical oprint, olprint, ocphfprint, olcphfprint
142 oprint = util_print('hess_follow',print_high)
143 olprint = (oprint.and.(ga_nodeid().eq.0))
145 olcphfprint = (oprint.and.(ga_nodeid().eq.0))
195 if (oprint) then
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/hessian/analytic/ |
| H A D | hess_anal.F | 36 logical oprintsome, oprint, ohessprof
72 oprint = util_print('hess_follow',print_high)
73 oprint = oprint .and. (ga_nodeid().eq.0)
125 if (oprint) write(LuOut,*) 'HESS: after the task_energy call'
141 if (oprint) write(LuOut,*) 'HESS: before the hess_init call'
146 if (oprint) write(LuOut,*) 'HESS: before the onedd_cont call'
154 if (oprint) write(LuOut,*) 'HESS: before the nucdd_cont call'
185 if (oprint) write(LuOut,*) 'HESS: before the hess_cphf call'
191 if(oprint) call hess_print
204 if (oprint) write(LuOut,*) 'HESS: before the hess_tidy call'
[all …]
|
| H A D | hess_restart.F | 32 logical oprint, olprint
39 oprint = util_print('hess_follow',print_high)
40 olprint = (oprint.and.(ga_nodeid().eq.0))
42 olcphfprint = (oprint.and.(ga_nodeid().eq.0))
69 if (oprint) then
140 logical oprint, olprint, ocphfprint, olcphfprint
142 oprint = util_print('hess_follow',print_high)
143 olprint = (oprint.and.(ga_nodeid().eq.0))
145 olcphfprint = (oprint.and.(ga_nodeid().eq.0))
195 if (oprint) then
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/optim/neb/ |
| H A D | neb_drv.F | 62 if (oprint) then
73 if (oprint) then
187 if (oprint) then
354 if (oprint) then
367 if (oprint)
561 if (oprint)
671 if (oprint) then
728 if (oprint) then
805 if (oprint) then
881 if (oprint) then
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/optim/neb/ |
| H A D | neb_drv.F | 58 if (oprint) then
69 if (oprint) then
161 if (oprint) then
301 if (oprint) then
314 if (oprint)
483 if (oprint)
591 if (oprint) then
637 if (oprint) then
700 if (oprint) then
766 if (oprint) then
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/mrpt/fci/ |
| H A D | fci_onelcc.F | 38 logical oprint
41 oprint = .false.
46 if (oprint) then
63 if (oprint) write(6,*) ' i = ', i, ' ni = ', ni
94 if (oprint) write(6,17) i, (iperm(u),ival(u),u=1,kdim)
99 if(oprint)write(6,88) ' I ', (iocc(u),indbar(u),u=1,nactiv)
107 if(oprint)write(6,88) ' K ', (iocc(u),indbar(u),u=1,nactiv)
119 if(oprint)write(6,*) ' j = ', j, ' nj = ', nj
124 if(oprint)write(6,11) i, j, (iocc(v),v=1,nactiv)
134 if (oprint) write(6,*)
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/mrpt/fci/ |
| H A D | fci_onelcc.F | 38 logical oprint
41 oprint = .false.
46 if (oprint) then
63 if (oprint) write(6,*) ' i = ', i, ' ni = ', ni
94 if (oprint) write(6,17) i, (iperm(u),ival(u),u=1,kdim)
99 if(oprint)write(6,88) ' I ', (iocc(u),indbar(u),u=1,nactiv)
107 if(oprint)write(6,88) ' K ', (iocc(u),indbar(u),u=1,nactiv)
119 if(oprint)write(6,*) ' j = ', j, ' nj = ', nj
124 if(oprint)write(6,11) i, j, (iocc(v),v=1,nactiv)
134 if (oprint) write(6,*)
[all …]
|
| /dports/science/madness/madness-ebb3fd7/src/apps/moldft/fci/ |
| H A D | fci_onelcc.F | 38 logical oprint
41 oprint = .false.
46 if (oprint) then
63 if (oprint) write(6,*) ' i = ', i, ' ni = ', ni
94 if (oprint) write(6,17) i, (iperm(u),ival(u),u=1,kdim)
99 if(oprint)write(6,88) ' I ', (iocc(u),indbar(u),u=1,nactiv)
107 if(oprint)write(6,88) ' K ', (iocc(u),indbar(u),u=1,nactiv)
119 if(oprint)write(6,*) ' j = ', j, ' nj = ', nj
124 if(oprint)write(6,11) i, j, (iocc(v),v=1,nactiv)
134 if (oprint) write(6,*)
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/utilities/ |
| H A D | task_paulsmatrix.F | 26 logical value,oprint
38 oprint = (taskid.eq.MASTER)
45 if (oprint) then
63 if (oprint) then
84 if (oprint) then
111 if (oprint) then
142 logical value,oprint
166 if (oprint)
185 if (oprint)
227 logical oprint
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/utilities/ |
| H A D | task_paulsmatrix.F | 26 logical value,oprint
38 oprint = (taskid.eq.MASTER)
45 if (oprint) then
63 if (oprint) then
84 if (oprint) then
111 if (oprint) then
142 logical value,oprint
166 if (oprint)
185 if (oprint)
227 logical oprint
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/python/ |
| H A D | python_input.F | 13 logical oprint
15 oprint = .true.
21 oprint = .true.
23 oprint = .false.
29 if (oprint) then
62 if (oprint)
69 if (oprint) then
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/python/ |
| H A D | python_input.F | 13 logical oprint
15 oprint = .true.
21 oprint = .true.
23 oprint = .false.
29 if (oprint) then
62 if (oprint)
69 if (oprint) then
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/util/ |
| H A D | line_search.F | 2 $ gradients, steps, eacc, tol, oprint)
15 logical oprint ! Printing enabled if true
33 if (oprint) then
81 if (oprint) then
105 if (oprint) then
118 if (oprint) then
146 if (oprint) then
161 if (oprint) then
170 if (oprint) then
182 if (oprint) then
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/util/ |
| H A D | line_search.F | 2 $ gradients, steps, eacc, tol, oprint)
15 logical oprint ! Printing enabled if true
33 if (oprint) then
81 if (oprint) then
105 if (oprint) then
118 if (oprint) then
146 if (oprint) then
161 if (oprint) then
170 if (oprint) then
182 if (oprint) then
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/atomscf/ |
| H A D | writel.F | 1 subroutine writel(p,newbas,oprint) argument
5 logical oprint
16 if(oprint) m5=8
21 if(.not.oprint)write(6,200)(i,i=m,n)
22 if(oprint)write(6,100)(i,i=m,n)
28 if(oprint)write(6,102)j,(p(ind(i,j)),i=m,n)
29 if(.not.oprint)write(6,202)j,(p(ind(i,j)),i=m,n)
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/atomscf/ |
| H A D | writel.F | 1 subroutine writel(p,newbas,oprint) argument
5 logical oprint
16 if(oprint) m5=8
21 if(.not.oprint)write(6,200)(i,i=m,n)
22 if(oprint)write(6,100)(i,i=m,n)
28 if(oprint)write(6,102)j,(p(ind(i,j)),i=m,n)
29 if(.not.oprint)write(6,202)j,(p(ind(i,j)),i=m,n)
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/control/ |
| H A D | psi_get_ne.F | 19 logical oprint
42 oprint = ((taskid.eq.MASTER).and.control_print(print_medium))
77 if (oprint) then
96 if (oprint) then
122 logical oprint
145 oprint = ((taskid.eq.MASTER).and.control_print(print_medium))
181 if (oprint) then
195 if (oprint) then
222 logical oprint
286 if (oprint) then
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/control/ |
| H A D | psi_get_ne.F | 19 logical oprint
42 oprint = ((taskid.eq.MASTER).and.control_print(print_medium))
77 if (oprint) then
96 if (oprint) then
122 logical oprint
145 oprint = ((taskid.eq.MASTER).and.control_print(print_medium))
181 if (oprint) then
195 if (oprint) then
222 logical oprint
286 if (oprint) then
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/qmmm/ |
| H A D | qmmm.F | 67 logical oprint local
85 oprint = util_print("debug_info", print_debug)
86 oprint = oprint .and. (ga_nodeid().eq.0)
88 if(oprint)
147 if(oprint)
176 if(oprint)
206 logical oprint local
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/qmmm/ |
| H A D | qmmm.F | 67 logical oprint
85 oprint = util_print("debug_info", print_debug)
86 oprint = oprint .and. (ga_nodeid().eq.0)
88 if(oprint)
147 if(oprint)
176 if(oprint)
206 logical oprint
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/minimizer/ |
| H A D | ofpw_cgsd_energy.F | 23 logical stalled,value,oprint,psitmp local
78 if (oprint) then
102 if (oprint) then
110 if (oprint) call util_flush(luout)
144 if ((oprint).and.(minimizer.ne.5)) then
149 if (oprint)
158 if (oprint)
163 if (oprint)
169 if (oprint)
176 if (oprint) CALL NWPW_MESSAGE(3)
[all …]
|