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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dscine_utils.F64 IF (iounit > 0) THEN
82 WRITE (iounit, "(A)") "system:"
83 WRITE (iounit, "(T2,A,A)") "unit: ", TRIM(sunit)
84 WRITE (iounit, "(T2,A)") "cell: "
92 WRITE (iounit, "(T2,A)") "coordinates: "
98 WRITE (iounit, "(A)") "gradient:"
101 WRITE (iounit, "(T2,A)") "values: "
109 WRITE (iounit, "(A)") "hessian:"
115 WRITE (iounit, "(T6,'X: [')")
132 WRITE (iounit, "(T6,'Y: [')")
[all …]
H A Dgrrm_utils.F70 IF (iounit > 0) THEN
84 WRITE (iounit, "(A7)") "RESULTS"
85 WRITE (iounit, "(A18)") "CURRENT COORDINATE"
92 WRITE (iounit, "(A8,F18.12)") "S**2 =", zero
93 WRITE (iounit, "(A8)") "GRADIENT"
103 WRITE (iounit, "(A7)") "HESSIAN"
119 WRITE (iounit, "(A18)") "DIPOLE DERIVATIVES"
129 WRITE (iounit, "(A14)") "POLARIZABILITY"
131 WRITE (iounit, "(1(F17.12,7X))") polar(1, 1)
135 WRITE (iounit, "(1(F17.12,7X))") zero
[all …]
H A Dqs_linres_module.F226 IF (iounit > 0) THEN
290 IF (iounit > 0) THEN
291 WRITE (UNIT=iounit, FMT="(/,T3,A,A)") &
313 IF (iounit > 0) THEN
319 WRITE (UNIT=iounit, FMT="(T2,A)") &
333 WRITE (UNIT=iounit, FMT="(T2,A,T60,A)") &
338 WRITE (UNIT=iounit, FMT="(T2,A,T60,A)") &
341 WRITE (UNIT=iounit, FMT="(T2,A,T60,A)") &
361 WRITE (UNIT=iounit, FMT="(T2,A,T72,I8)") &
483 IF (iounit > 0) THEN
[all …]
H A Dpw_env_methods.F401 iounit=iounit)
410 iounit=iounit)
421 iounit=iounit)
460 IF (iounit > 0) WRITE (iounit, "(/,T2,A)") "PW_GRID| Grid for non-local vdW functional"
468 iounit=iounit)
596 IF (iounit > 0) THEN
616 WRITE (UNIT=iounit, FMT="(T2,A,T71,I10)") &
678 WRITE (UNIT=iounit, FMT="(T2,A,T71,I10)") &
696 WRITE (UNIT=iounit, FMT='(A1,/)')
970 iounit=iounit)
[all …]
H A Dqs_linres_polar_utils.F120 IF (iounit > 0) THEN
332 IF (unit_p /= iounit) THEN
350 IF (iounit > 0) THEN
351 WRITE (iounit, *)
411 IF (iounit > 0) THEN
412 WRITE (UNIT=iounit, FMT="(T2,A,/)") &
462 IF (iounit > 0) THEN
464 WRITE (iounit, "(/,T2,A)") &
566 iounit = 0
568 IF (iounit > 0) THEN
[all …]
H A Dvirial_methods.F159 SUBROUTINE write_stress_components(virial, iounit) argument
161 INTEGER, INTENT(IN) :: iounit local
168 WRITE (UNIT=iounit, FMT="(/,T3,A)") REPEAT("=", 78)
169 WRITE (UNIT=iounit, FMT="(T4,A)") "Stress Tensor Components (GPW/GAPW)"
170 WRITE (UNIT=iounit, FMT="(T42,A,T64,A)") " 1/3 Trace", " Determinant"
172 WRITE (UNIT=iounit, FMT="(T4,A,T42,F16.8,T64,F16.8)") "Kinetic Energy Stress", &
175 WRITE (UNIT=iounit, FMT="(T4,A,T42,F16.8,T64,F16.8)") "Basis Overlap Stress", &
178 WRITE (UNIT=iounit, FMT="(T4,A,T42,F16.8,T64,F16.8)") "ES + XC Stress", &
195 WRITE (UNIT=iounit, FMT="(T4,A,T42,F16.8,T64,F16.8)") "Sum of Parts Stress", &
199 WRITE (UNIT=iounit, FMT="(T4,A,T42,F16.8,T64,F16.8)") "Total Stress", &
[all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/fetk/punc/tools/tests/pmg/
H A Dmainsubf.f227 rewind(iounit)
241 close(iounit)
248 rewind(iounit)
262 close(iounit)
283 close(iounit)
318 close(iounit)
350 close(iounit)
375 close(iounit)
400 close(iounit)
415 close(iounit)
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dgrrm_utils.F57 IF (iounit > 0) THEN
59 WRITE (iounit, "(A7)") "RESULTS"
60 WRITE (iounit, "(A18)") "CURRENT COORDINATE"
67 WRITE (iounit, "(A8,F18.12)") "S**2 =", zero
68 WRITE (iounit, "(A8)") "GRADIENT"
78 WRITE (iounit, "(A7)") "HESSIAN"
95 WRITE (iounit, "(A18)") "DIPOLE DERIVATIVES"
105 WRITE (iounit, "(A14)") "POLARIZABILITY"
107 WRITE (iounit, "(1(F17.12,7X))") polar(1, 1)
111 WRITE (iounit, "(1(F17.12,7X))") zero
[all …]
H A Dqs_linres_module.F226 IF (iounit > 0) THEN
290 IF (iounit > 0) THEN
291 WRITE (UNIT=iounit, FMT="(/,T3,A,A)") &
313 IF (iounit > 0) THEN
319 WRITE (UNIT=iounit, FMT="(T2,A)") &
333 WRITE (UNIT=iounit, FMT="(T2,A,T60,A)") &
338 WRITE (UNIT=iounit, FMT="(T2,A,T60,A)") &
341 WRITE (UNIT=iounit, FMT="(T2,A,T60,A)") &
361 WRITE (UNIT=iounit, FMT="(T2,A,T72,I8)") &
483 IF (iounit > 0) THEN
[all …]
H A Dpw_env_methods.F409 iounit=iounit)
418 iounit=iounit)
429 iounit=iounit)
468 IF (iounit > 0) WRITE (iounit, "(/,T2,A)") "PW_GRID| Grid for non-local vdW functional"
476 iounit=iounit)
604 IF (iounit > 0) THEN
624 WRITE (UNIT=iounit, FMT="(T2,A,T71,I10)") &
686 WRITE (UNIT=iounit, FMT="(T2,A,T71,I10)") &
704 WRITE (UNIT=iounit, FMT='(A1,/)')
982 iounit=iounit)
[all …]
H A Dqs_linres_polar_utils.F120 IF (iounit > 0) THEN
332 IF (unit_p /= iounit) THEN
350 IF (iounit > 0) THEN
351 WRITE (iounit, *)
411 IF (iounit > 0) THEN
412 WRITE (UNIT=iounit, FMT="(T2,A,/)") &
462 IF (iounit > 0) THEN
464 WRITE (iounit, "(/,T2,A)") &
566 iounit = 0
568 IF (iounit > 0) THEN
[all …]
H A Dvirial_methods.F159 SUBROUTINE write_stress_components(virial, iounit) argument
161 INTEGER, INTENT(IN) :: iounit local
168 WRITE (UNIT=iounit, FMT="(/,T3,A)") REPEAT("=", 78)
169 WRITE (UNIT=iounit, FMT="(T4,A)") "Stress Tensor Components (GPW/GAPW)"
170 WRITE (UNIT=iounit, FMT="(T42,A,T64,A)") " 1/3 Trace", " Determinant"
172 WRITE (UNIT=iounit, FMT="(T4,A,T42,F16.8,T64,F16.8)") "Kinetic Energy Stress", &
175 WRITE (UNIT=iounit, FMT="(T4,A,T42,F16.8,T64,F16.8)") "Basis Overlap Stress", &
178 WRITE (UNIT=iounit, FMT="(T4,A,T42,F16.8,T64,F16.8)") "ES + XC Stress", &
195 WRITE (UNIT=iounit, FMT="(T4,A,T42,F16.8,T64,F16.8)") "Sum of Parts Stress", &
199 WRITE (UNIT=iounit, FMT="(T4,A,T42,F16.8,T64,F16.8)") "Total Stress", &
[all …]
/dports/multimedia/v4l-utils/linux-5.13-rc2/arch/sparc/mm/
H A Dio-unit.c42 struct iounit_struct *iounit; in iounit_iommu_init() local
47 if (!iounit) { in iounit_iommu_init()
65 op->dev.archdata.iommu = iounit; in iounit_iommu_init()
66 iounit->page_table = xpt; in iounit_iommu_init()
67 spin_lock_init(&iounit->lock); in iounit_iommu_init()
114 rotor = iounit->rotor[j - 1]; in iounit_get_area()
115 limit = iounit->limit[j]; in iounit_get_area()
121 scan = iounit->limit[j - 1]; in iounit_get_area()
132 iounit->rotor[j - 1] = (scan < limit) ? scan : iounit->limit[j - 1]; in iounit_get_area()
137 set_bit(scan, iounit->bmap); in iounit_get_area()
[all …]
/dports/multimedia/v4l_compat/linux-5.13-rc2/arch/sparc/mm/
H A Dio-unit.c42 struct iounit_struct *iounit; in iounit_iommu_init() local
47 if (!iounit) { in iounit_iommu_init()
65 op->dev.archdata.iommu = iounit; in iounit_iommu_init()
66 iounit->page_table = xpt; in iounit_iommu_init()
67 spin_lock_init(&iounit->lock); in iounit_iommu_init()
114 rotor = iounit->rotor[j - 1]; in iounit_get_area()
115 limit = iounit->limit[j]; in iounit_get_area()
121 scan = iounit->limit[j - 1]; in iounit_get_area()
132 iounit->rotor[j - 1] = (scan < limit) ? scan : iounit->limit[j - 1]; in iounit_get_area()
137 set_bit(scan, iounit->bmap); in iounit_get_area()
[all …]
/dports/multimedia/libv4l/linux-5.13-rc2/arch/sparc/mm/
H A Dio-unit.c42 struct iounit_struct *iounit; in iounit_iommu_init() local
47 if (!iounit) { in iounit_iommu_init()
65 op->dev.archdata.iommu = iounit; in iounit_iommu_init()
66 iounit->page_table = xpt; in iounit_iommu_init()
67 spin_lock_init(&iounit->lock); in iounit_iommu_init()
114 rotor = iounit->rotor[j - 1]; in iounit_get_area()
115 limit = iounit->limit[j]; in iounit_get_area()
121 scan = iounit->limit[j - 1]; in iounit_get_area()
132 iounit->rotor[j - 1] = (scan < limit) ? scan : iounit->limit[j - 1]; in iounit_get_area()
137 set_bit(scan, iounit->bmap); in iounit_get_area()
[all …]
/dports/science/getdp/getdp-3.4.0-source/contrib/Sparskit/
H A Dinout.f265 1 ifmt,job,iounit)
820 1 job, iounit)
913 write (iounit,88)
915 write (iounit,89)
919 write(iounit,90)
939 write(iounit,92) ips
963 write (iounit, 129)
969 write(iounit,130) nrow,ncol,nnz
1198 rewind(iounit)
1380 write(iounit, *) n
[all …]
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/fetk/punc/src/cgcode/
H A Ddcgchk.c34 static integer iounit; in dcgchk_() local
67 iounit = ipar[5]; in dcgchk_()
68 if (iounit <= 0) { in dcgchk_()
71 io___2.ciunit = iounit; in dcgchk_()
83 io___3.ciunit = iounit; in dcgchk_()
90 io___4.ciunit = iounit; in dcgchk_()
96 io___5.ciunit = iounit; in dcgchk_()
102 io___6.ciunit = iounit; in dcgchk_()
109 io___7.ciunit = iounit; in dcgchk_()
H A Dscgchk.c34 static integer iounit; in scgchk_() local
68 iounit = ipar[5]; in scgchk_()
69 if (iounit <= 0) { in scgchk_()
72 io___2.ciunit = iounit; in scgchk_()
84 io___3.ciunit = iounit; in scgchk_()
91 io___4.ciunit = iounit; in scgchk_()
97 io___5.ciunit = iounit; in scgchk_()
103 io___6.ciunit = iounit; in scgchk_()
110 io___7.ciunit = iounit; in scgchk_()
H A Ddckchb.c42 static integer iadapt, iounit; in dckchb_() local
76 iounit = ipar[5]; in dckchb_()
81 if (iounit > 0) { in dckchb_()
82 io___6.ciunit = iounit; in dckchb_()
92 io___7.ciunit = iounit; in dckchb_()
97 io___8.ciunit = iounit; in dckchb_()
104 io___9.ciunit = iounit; in dckchb_()
122 io___12.ciunit = iounit; in dckchb_()
128 if (iounit > 0) { in dckchb_()
129 io___13.ciunit = iounit; in dckchb_()
H A Dsckchb.c42 static integer iounit; in sckchb_() local
77 iounit = ipar[5]; in sckchb_()
82 if (iounit > 0) { in sckchb_()
83 io___6.ciunit = iounit; in sckchb_()
93 io___7.ciunit = iounit; in sckchb_()
98 io___8.ciunit = iounit; in sckchb_()
105 io___9.ciunit = iounit; in sckchb_()
123 io___12.ciunit = iounit; in sckchb_()
129 if (iounit > 0) { in sckchb_()
130 io___13.ciunit = iounit; in sckchb_()
H A Dscgne.c57 static integer iounit; in scgne_() local
394 iounit = iparam[5]; in scgne_()
407 if (iounit > 0) { in scgne_()
408 io___10.ciunit = iounit; in scgne_()
413 if (iounit > 0) { in scgne_()
414 io___11.ciunit = iounit; in scgne_()
419 if (iounit > 0) { in scgne_()
454 if (iounit > 0) { in scgne_()
489 if (iounit > 0) { in scgne_()
526 if (iounit > 0) { in scgne_()
[all …]
H A Ddcgne.c65 static integer iounit; in dcgne_() local
394 iounit = iparam[5]; in dcgne_()
407 if (iounit > 0) { in dcgne_()
408 io___10.ciunit = iounit; in dcgne_()
413 if (iounit > 0) { in dcgne_()
414 io___11.ciunit = iounit; in dcgne_()
419 if (iounit > 0) { in dcgne_()
454 if (iounit > 0) { in dcgne_()
489 if (iounit > 0) { in dcgne_()
526 if (iounit > 0) { in dcgne_()
[all …]
H A Dscr.c62 static integer iounit; in scr_() local
395 iounit = iparam[5]; in scr_()
405 if (iounit > 0) { in scr_()
406 io___9.ciunit = iounit; in scr_()
411 if (iounit > 0) { in scr_()
412 io___10.ciunit = iounit; in scr_()
417 if (iounit > 0) { in scr_()
418 io___11.ciunit = iounit; in scr_()
452 if (iounit > 0) { in scr_()
493 if (iounit > 0) { in scr_()
[all …]
H A Dspcgne.c59 static integer iounit; in spcgne_() local
435 iounit = iparam[5]; in spcgne_()
448 if (iounit > 0) { in spcgne_()
449 io___10.ciunit = iounit; in spcgne_()
454 if (iounit > 0) { in spcgne_()
455 io___11.ciunit = iounit; in spcgne_()
460 if (iounit > 0) { in spcgne_()
498 if (iounit > 0) { in spcgne_()
535 if (iounit > 0) { in spcgne_()
574 if (iounit > 0) { in spcgne_()
[all …]
H A Ddcr.c70 static integer iounit; in dcr_() local
396 iounit = iparam[5]; in dcr_()
406 if (iounit > 0) { in dcr_()
407 io___9.ciunit = iounit; in dcr_()
412 if (iounit > 0) { in dcr_()
413 io___10.ciunit = iounit; in dcr_()
418 if (iounit > 0) { in dcr_()
419 io___11.ciunit = iounit; in dcr_()
453 if (iounit > 0) { in dcr_()
494 if (iounit > 0) { in dcr_()
[all …]

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